id	sid	tid	token	lemma	pos
bibechana-79223	1	1	bibechana	bibechana	PROPN
bibechana-79223	1	2	vol	vol	NOUN
bibechana-79223	1	3	.	.	PROPN
bibechana-79223	2	1	22	22	NUM
bibechana-79223	2	2	,	,	PUNCT
bibechana-79223	2	3	no	no	INTJ
bibechana-79223	2	4	.	.	NOUN
bibechana-79223	2	5	2	2	NUM
bibechana-79223	2	6	,	,	PUNCT
bibechana-79223	2	7	august	august	NOUN
bibechana-79223	2	8	2025	2025	NUM
bibechana-79223	2	9	,	,	PUNCT
bibechana-79223	2	10	188	188	NUM
bibechana-79223	2	11	-	-	SYM
bibechana-79223	2	12	195	195	NUM
bibechana-79223	2	13	issn	issn	NOUN
bibechana-79223	2	14	2091	2091	NUM
bibechana-79223	2	15	-	-	SYM
bibechana-79223	2	16	0762	0762	NUM
bibechana-79223	2	17	(	(	PUNCT
bibechana-79223	2	18	print	print	NOUN
bibechana-79223	2	19	)	)	PUNCT
bibechana-79223	2	20	,	,	PUNCT
bibechana-79223	2	21	2382	2382	NUM
bibechana-79223	2	22	-	-	SYM
bibechana-79223	2	23	5340	5340	NUM
bibechana-79223	2	24	(	(	PUNCT
bibechana-79223	2	25	online	online	ADJ
bibechana-79223	2	26	)	)	PUNCT
bibechana-79223	2	27	journal	journal	NOUN
bibechana-79223	2	28	homepage	homepage	NOUN
bibechana-79223	2	29	:	:	PUNCT
bibechana-79223	2	30	http://nepjol.info/index.php/bibechana	http://nepjol.info/index.php/bibechana	PROPN
bibechana-79223	2	31	publisher	publisher	NOUN
bibechana-79223	2	32	:	:	PUNCT
bibechana-79223	2	33	dept	dept	NOUN
bibechana-79223	2	34	.	.	PROPN
bibechana-79223	2	35	of	of	ADP
bibechana-79223	2	36	phys	phy	NOUN
bibechana-79223	2	37	.	.	PUNCT
bibechana-79223	2	38	,	,	PUNCT
bibechana-79223	3	1	mahendra	mahendra	PROPN
bibechana-79223	3	2	morang	morang	PROPN
bibechana-79223	3	3	a.	a.	PROPN
bibechana-79223	3	4	m.	m.	PROPN
bibechana-79223	3	5	campus	campus	PROPN
bibechana-79223	3	6	(	(	PUNCT
bibechana-79223	3	7	tribhuvan	tribhuvan	NOUN
bibechana-79223	3	8	university)biratnagar	university)biratnagar	PRON
bibechana-79223	3	9	first	first	ADJ
bibechana-79223	3	10	principles	principle	VERB
bibechana-79223	3	11	calculations	calculation	NOUN
bibechana-79223	3	12	of	of	ADP
bibechana-79223	3	13	mechanical	mechanical	ADJ
bibechana-79223	3	14	,	,	PUNCT
bibechana-79223	3	15	electronic	electronic	ADJ
bibechana-79223	3	16	,	,	PUNCT
bibechana-79223	3	17	thermoelectric	thermoelectric	ADJ
bibechana-79223	3	18	and	and	CCONJ
bibechana-79223	3	19	thermal	thermal	ADJ
bibechana-79223	3	20	properties	property	NOUN
bibechana-79223	3	21	of	of	ADP
bibechana-79223	3	22	zncu	zncu	PROPN
bibechana-79223	3	23	shashit	shashit	PROPN
bibechana-79223	3	24	kumar	kumar	PROPN
bibechana-79223	3	25	yadav∗	yadav∗	PROPN
bibechana-79223	3	26	,	,	PUNCT
bibechana-79223	3	27	subash	subash	PROPN
bibechana-79223	3	28	dahal	dahal	PROPN
bibechana-79223	3	29	,	,	PUNCT
bibechana-79223	3	30	bhupal	bhupal	ADJ
bibechana-79223	3	31	guragain	guragain	NOUN
bibechana-79223	3	32	,	,	PUNCT
bibechana-79223	3	33	department	department	NOUN
bibechana-79223	3	34	of	of	ADP
bibechana-79223	3	35	physics	physics	PROPN
bibechana-79223	3	36	,	,	PUNCT
bibechana-79223	3	37	mahendra	mahendra	PROPN
bibechana-79223	3	38	morang	morang	PROPN
bibechana-79223	3	39	adarsh	adarsh	PROPN
bibechana-79223	3	40	multiple	multiple	ADJ
bibechana-79223	3	41	campus	campus	PROPN
bibechana-79223	3	42	tribhuvan	tribhuvan	PROPN
bibechana-79223	3	43	university	university	PROPN
bibechana-79223	3	44	,	,	PUNCT
bibechana-79223	3	45	biratnagar	biratnagar	NOUN
bibechana-79223	3	46	,	,	PUNCT
bibechana-79223	3	47	nepal	nepal	ADJ
bibechana-79223	3	48	∗corresponding	∗corresponde	VERB
bibechana-79223	3	49	author	author	NOUN
bibechana-79223	3	50	.	.	PUNCT
bibechana-79223	4	1	email	email	NOUN
bibechana-79223	4	2	:	:	PUNCT
bibechana-79223	4	3	sashit.yadav@mmamc.tu.edu.np	sashit.yadav@mmamc.tu.edu.np	PROPN
bibechana-79223	4	4	abstract	abstract	VERB
bibechana-79223	4	5	the	the	DET
bibechana-79223	4	6	structural	structural	ADJ
bibechana-79223	4	7	,	,	PUNCT
bibechana-79223	4	8	mechanical	mechanical	ADJ
bibechana-79223	4	9	,	,	PUNCT
bibechana-79223	4	10	electronic	electronic	ADJ
bibechana-79223	4	11	and	and	CCONJ
bibechana-79223	4	12	thermoelectric	thermoelectric	ADJ
bibechana-79223	4	13	properties	property	NOUN
bibechana-79223	4	14	of	of	ADP
bibechana-79223	4	15	zncu	zncu	PROPN
bibechana-79223	4	16	were	be	AUX
bibechana-79223	4	17	investigated	investigate	VERB
bibechana-79223	4	18	using	use	VERB
bibechana-79223	4	19	density	density	NOUN
bibechana-79223	4	20	functional	functional	ADJ
bibechana-79223	4	21	theory	theory	NOUN
bibechana-79223	4	22	(	(	PUNCT
bibechana-79223	4	23	dft	dft	PROPN
bibechana-79223	4	24	)	)	PUNCT
bibechana-79223	4	25	.	.	PUNCT
bibechana-79223	5	1	the	the	DET
bibechana-79223	5	2	perdew	perdew	PROPN
bibechana-79223	5	3	–	–	PUNCT
bibechana-79223	5	4	burke	burke	NOUN
bibechana-79223	5	5	–	–	PUNCT
bibechana-79223	5	6	ernzerhof	ernzerhof	NOUN
bibechana-79223	5	7	(	(	PUNCT
bibechana-79223	5	8	pbe	pbe	NOUN
bibechana-79223	5	9	)	)	PUNCT
bibechana-79223	5	10	exchangecorrelation	exchangecorrelation	NOUN
bibechana-79223	5	11	functional	functional	ADJ
bibechana-79223	5	12	within	within	ADP
bibechana-79223	5	13	the	the	DET
bibechana-79223	5	14	generalized	generalized	ADJ
bibechana-79223	5	15	gradient	gradient	NOUN
bibechana-79223	5	16	approximation	approximation	NOUN
bibechana-79223	5	17	(	(	PUNCT
bibechana-79223	5	18	gga	gga	PROPN
bibechana-79223	5	19	)	)	PUNCT
bibechana-79223	5	20	was	be	AUX
bibechana-79223	5	21	employed	employ	VERB
bibechana-79223	5	22	in	in	ADP
bibechana-79223	5	23	the	the	DET
bibechana-79223	5	24	quantum	quantum	ADJ
bibechana-79223	5	25	espresso	espresso	NOUN
bibechana-79223	5	26	package	package	NOUN
bibechana-79223	5	27	for	for	ADP
bibechana-79223	5	28	the	the	DET
bibechana-79223	5	29	purpose	purpose	NOUN
bibechana-79223	5	30	.	.	PUNCT
bibechana-79223	6	1	the	the	DET
bibechana-79223	6	2	zncu	zncu	PROPN
bibechana-79223	6	3	compound	compound	PROPN
bibechana-79223	6	4	was	be	AUX
bibechana-79223	6	5	found	find	VERB
bibechana-79223	6	6	to	to	PART
bibechana-79223	6	7	be	be	AUX
bibechana-79223	6	8	both	both	PRON
bibechana-79223	6	9	mechanically	mechanically	ADV
bibechana-79223	6	10	and	and	CCONJ
bibechana-79223	6	11	dynamically	dynamically	ADV
bibechana-79223	6	12	stable	stable	ADJ
bibechana-79223	6	13	.	.	PUNCT
bibechana-79223	7	1	analysis	analysis	NOUN
bibechana-79223	7	2	of	of	ADP
bibechana-79223	7	3	its	its	PRON
bibechana-79223	7	4	elastic	elastic	ADJ
bibechana-79223	7	5	and	and	CCONJ
bibechana-79223	7	6	electronic	electronic	ADJ
bibechana-79223	7	7	properties	property	NOUN
bibechana-79223	7	8	reveals	reveal	VERB
bibechana-79223	7	9	that	that	SCONJ
bibechana-79223	7	10	zncu	zncu	PROPN
bibechana-79223	7	11	is	be	AUX
bibechana-79223	7	12	mechanically	mechanically	ADV
bibechana-79223	7	13	stable	stable	ADJ
bibechana-79223	7	14	,	,	PUNCT
bibechana-79223	7	15	anisotropic	anisotropic	NOUN
bibechana-79223	7	16	,	,	PUNCT
bibechana-79223	7	17	and	and	CCONJ
bibechana-79223	7	18	exhibits	exhibit	VERB
bibechana-79223	7	19	metallic	metallic	ADJ
bibechana-79223	7	20	behavior	behavior	NOUN
bibechana-79223	7	21	.	.	PUNCT
bibechana-79223	8	1	furthermore	furthermore	ADV
bibechana-79223	8	2	,	,	PUNCT
bibechana-79223	8	3	thermoelectric	thermoelectric	ADJ
bibechana-79223	8	4	property	property	NOUN
bibechana-79223	8	5	analysis	analysis	NOUN
bibechana-79223	8	6	indicates	indicate	VERB
bibechana-79223	8	7	that	that	SCONJ
bibechana-79223	8	8	zncu	zncu	PROPN
bibechana-79223	8	9	achieves	achieve	VERB
bibechana-79223	8	10	its	its	PRON
bibechana-79223	8	11	highest	high	ADJ
bibechana-79223	8	12	power	power	NOUN
bibechana-79223	8	13	factor	factor	NOUN
bibechana-79223	8	14	at	at	ADP
bibechana-79223	8	15	300	300	NUM
bibechana-79223	8	16	k.	k.	NOUN
bibechana-79223	8	17	the	the	DET
bibechana-79223	8	18	study	study	NOUN
bibechana-79223	8	19	of	of	ADP
bibechana-79223	8	20	thermodynamic	thermodynamic	ADJ
bibechana-79223	8	21	properties	property	NOUN
bibechana-79223	8	22	suggests	suggest	VERB
bibechana-79223	8	23	that	that	SCONJ
bibechana-79223	8	24	zncu	zncu	PROPN
bibechana-79223	8	25	retains	retain	VERB
bibechana-79223	8	26	mechanical	mechanical	ADJ
bibechana-79223	8	27	stability	stability	NOUN
bibechana-79223	8	28	at	at	ADP
bibechana-79223	8	29	elevated	elevated	ADJ
bibechana-79223	8	30	temperatures	temperature	NOUN
bibechana-79223	8	31	.	.	PUNCT
bibechana-79223	9	1	keywords	keyword	NOUN
bibechana-79223	9	2	zncu	zncu	PROPN
bibechana-79223	9	3	compound	compound	PROPN
bibechana-79223	9	4	,	,	PUNCT
bibechana-79223	9	5	quantum	quantum	NOUN
bibechana-79223	9	6	espresso	espresso	NOUN
bibechana-79223	9	7	,	,	PUNCT
bibechana-79223	9	8	electronic	electronic	ADJ
bibechana-79223	9	9	properties	property	NOUN
bibechana-79223	9	10	,	,	PUNCT
bibechana-79223	9	11	phonon	phonon	NOUN
bibechana-79223	9	12	,	,	PUNCT
bibechana-79223	9	13	thermoelectric	thermoelectric	ADJ
bibechana-79223	9	14	properties	property	NOUN
bibechana-79223	9	15	.	.	PUNCT
bibechana-79223	10	1	article	article	NOUN
bibechana-79223	10	2	information	information	PROPN
bibechana-79223	10	3	manuscript	manuscript	PROPN
bibechana-79223	10	4	received	receive	VERB
bibechana-79223	10	5	:	:	PUNCT
bibechana-79223	10	6	january	january	PROPN
bibechana-79223	10	7	10	10	NUM
bibechana-79223	10	8	,	,	PUNCT
bibechana-79223	10	9	2025	2025	NUM
bibechana-79223	10	10	;	;	PUNCT
bibechana-79223	10	11	revised	revise	VERB
bibechana-79223	10	12	:	:	PUNCT
bibechana-79223	10	13	april	april	PROPN
bibechana-79223	10	14	12	12	NUM
bibechana-79223	10	15	,	,	PUNCT
bibechana-79223	10	16	2025	2025	NUM
bibechana-79223	10	17	;	;	PUNCT
bibechana-79223	10	18	accepted	accept	VERB
bibechana-79223	10	19	:	:	PUNCT
bibechana-79223	10	20	may	may	AUX
bibechana-79223	10	21	26	26	NUM
bibechana-79223	10	22	,	,	PUNCT
bibechana-79223	10	23	2025	2025	NUM
bibechana-79223	10	24	doi	doi	X
bibechana-79223	10	25	https://doi.org/10.3126/bibechana.v22i2.79223	https://doi.org/10.3126/bibechana.v22i2.79223	PUNCT
bibechana-79223	10	26	this	this	DET
bibechana-79223	10	27	work	work	NOUN
bibechana-79223	10	28	is	be	AUX
bibechana-79223	10	29	licensed	license	VERB
bibechana-79223	10	30	under	under	ADP
bibechana-79223	10	31	the	the	DET
bibechana-79223	10	32	creative	creative	ADJ
bibechana-79223	10	33	commons	common	NOUN
bibechana-79223	10	34	cc	cc	ADP
bibechana-79223	10	35	by	by	ADP
bibechana-79223	10	36	-	-	PUNCT
bibechana-79223	10	37	nc	nc	NOUN
bibechana-79223	10	38	license	license	NOUN
bibechana-79223	10	39	.	.	PUNCT
bibechana-79223	11	1	https://creativecommons	https://creativecommon	NOUN
bibechana-79223	11	2	.	.	PUNCT
bibechana-79223	11	3	org	org	ADJ
bibechana-79223	11	4	/	/	SYM
bibechana-79223	11	5	licenses	license	NOUN
bibechana-79223	11	6	/	/	SYM
bibechana-79223	11	7	by	by	ADP
bibechana-79223	11	8	-	-	PUNCT
bibechana-79223	11	9	nc/4.0/	nc/4.0/	NOUN
bibechana-79223	11	10	1	1	NUM
bibechana-79223	11	11	introduction	introduction	NOUN
bibechana-79223	11	12	alloying	alloy	VERB
bibechana-79223	11	13	materials	material	NOUN
bibechana-79223	11	14	serve	serve	VERB
bibechana-79223	11	15	an	an	DET
bibechana-79223	11	16	important	important	ADJ
bibechana-79223	11	17	role	role	NOUN
bibechana-79223	11	18	in	in	ADP
bibechana-79223	11	19	improving	improve	VERB
bibechana-79223	11	20	the	the	DET
bibechana-79223	11	21	qualities	quality	NOUN
bibechana-79223	11	22	of	of	ADP
bibechana-79223	11	23	materials	material	NOUN
bibechana-79223	11	24	for	for	ADP
bibechana-79223	11	25	a	a	DET
bibechana-79223	11	26	variety	variety	NOUN
bibechana-79223	11	27	of	of	ADP
bibechana-79223	11	28	applications	application	NOUN
bibechana-79223	11	29	by	by	ADP
bibechana-79223	11	30	increasing	increase	VERB
bibechana-79223	11	31	their	their	PRON
bibechana-79223	11	32	strength	strength	NOUN
bibechana-79223	11	33	,	,	PUNCT
bibechana-79223	11	34	durability	durability	NOUN
bibechana-79223	11	35	,	,	PUNCT
bibechana-79223	11	36	and	and	CCONJ
bibechana-79223	11	37	corrosion	corrosion	NOUN
bibechana-79223	11	38	resistance	resistance	NOUN
bibechana-79223	11	39	.	.	PUNCT
bibechana-79223	12	1	the	the	DET
bibechana-79223	12	2	material	material	NOUN
bibechana-79223	12	3	can	can	AUX
bibechana-79223	12	4	be	be	AUX
bibechana-79223	12	5	alloyed	alloy	VERB
bibechana-79223	12	6	to	to	PART
bibechana-79223	12	7	achieve	achieve	VERB
bibechana-79223	12	8	the	the	DET
bibechana-79223	12	9	qualities	quality	NOUN
bibechana-79223	12	10	that	that	PRON
bibechana-79223	12	11	alloy	alloy	NOUN
bibechana-79223	12	12	components	component	NOUN
bibechana-79223	12	13	lack	lack	VERB
bibechana-79223	12	14	for	for	ADP
bibechana-79223	12	15	practical	practical	ADJ
bibechana-79223	12	16	application	application	NOUN
bibechana-79223	13	1	[	[	X
bibechana-79223	13	2	1	1	NUM
bibechana-79223	13	3	]	]	PUNCT
bibechana-79223	13	4	.	.	PUNCT
bibechana-79223	14	1	there	there	PRON
bibechana-79223	14	2	are	be	VERB
bibechana-79223	14	3	enormous	enormous	ADJ
bibechana-79223	14	4	possibilities	possibility	NOUN
bibechana-79223	14	5	for	for	ADP
bibechana-79223	14	6	alloying	alloy	VERB
bibechana-79223	14	7	the	the	DET
bibechana-79223	14	8	material	material	NOUN
bibechana-79223	14	9	,	,	PUNCT
bibechana-79223	14	10	but	but	CCONJ
bibechana-79223	14	11	copper	copper	NOUN
bibechana-79223	14	12	alloy	alloy	NOUN
bibechana-79223	14	13	has	have	AUX
bibechana-79223	14	14	gained	gain	VERB
bibechana-79223	14	15	its	its	PRON
bibechana-79223	14	16	own	own	ADJ
bibechana-79223	14	17	importance	importance	NOUN
bibechana-79223	14	18	in	in	ADP
bibechana-79223	14	19	the	the	DET
bibechana-79223	14	20	fields	field	NOUN
bibechana-79223	14	21	of	of	ADP
bibechana-79223	14	22	machinery	machinery	NOUN
bibechana-79223	14	23	,	,	PUNCT
bibechana-79223	14	24	electrical	electrical	ADJ
bibechana-79223	14	25	industry	industry	NOUN
bibechana-79223	14	26	,	,	PUNCT
bibechana-79223	14	27	and	and	CCONJ
bibechana-79223	14	28	construction	construction	NOUN
bibechana-79223	14	29	over	over	ADP
bibechana-79223	14	30	the	the	DET
bibechana-79223	14	31	past	past	ADJ
bibechana-79223	14	32	year	year	NOUN
bibechana-79223	14	33	[	[	X
bibechana-79223	14	34	2	2	NUM
bibechana-79223	14	35	,	,	PUNCT
bibechana-79223	14	36	3	3	NUM
bibechana-79223	14	37	]	]	PUNCT
bibechana-79223	14	38	.	.	PUNCT
bibechana-79223	15	1	among	among	ADP
bibechana-79223	15	2	the	the	DET
bibechana-79223	15	3	different	different	ADJ
bibechana-79223	15	4	possible	possible	ADJ
bibechana-79223	15	5	alloys	alloy	NOUN
bibechana-79223	15	6	of	of	ADP
bibechana-79223	15	7	copper	copper	NOUN
bibechana-79223	15	8	,	,	PUNCT
bibechana-79223	15	9	the	the	DET
bibechana-79223	15	10	zncu	zncu	PROPN
bibechana-79223	15	11	alloy	alloy	NOUN
bibechana-79223	15	12	stands	stand	VERB
bibechana-79223	15	13	out	out	ADP
bibechana-79223	15	14	due	due	ADP
bibechana-79223	15	15	to	to	ADP
bibechana-79223	15	16	its	its	PRON
bibechana-79223	15	17	potential	potential	ADJ
bibechana-79223	15	18	application	application	NOUN
bibechana-79223	15	19	in	in	ADP
bibechana-79223	15	20	diverse	diverse	ADJ
bibechana-79223	15	21	domains	domain	NOUN
bibechana-79223	15	22	.	.	PUNCT
bibechana-79223	16	1	the	the	DET
bibechana-79223	16	2	unique	unique	ADJ
bibechana-79223	16	3	combination	combination	NOUN
bibechana-79223	16	4	of	of	ADP
bibechana-79223	16	5	zinc	zinc	NOUN
bibechana-79223	16	6	and	and	CCONJ
bibechana-79223	16	7	copper	copper	NOUN
bibechana-79223	16	8	provides	provide	VERB
bibechana-79223	16	9	promising	promising	ADJ
bibechana-79223	16	10	characteristics	characteristic	NOUN
bibechana-79223	16	11	[	[	X
bibechana-79223	16	12	4–8	4–8	NOUN
bibechana-79223	16	13	]	]	X
bibechana-79223	16	14	.	.	PUNCT
bibechana-79223	17	1	different	different	ADJ
bibechana-79223	17	2	research	research	NOUN
bibechana-79223	17	3	has	have	AUX
bibechana-79223	17	4	been	be	AUX
bibechana-79223	17	5	conducted	conduct	VERB
bibechana-79223	17	6	to	to	PART
bibechana-79223	17	7	study	study	VERB
bibechana-79223	17	8	the	the	DET
bibechana-79223	17	9	properties	property	NOUN
bibechana-79223	17	10	of	of	ADP
bibechana-79223	17	11	the	the	DET
bibechana-79223	17	12	zncu	zncu	PROPN
bibechana-79223	17	13	alloy	alloy	NOUN
bibechana-79223	17	14	.	.	PUNCT
bibechana-79223	18	1	for	for	ADP
bibechana-79223	18	2	example	example	NOUN
bibechana-79223	18	3	,	,	PUNCT
bibechana-79223	18	4	iwaoka	iwaoka	NOUN
bibechana-79223	18	5	and	and	CCONJ
bibechana-79223	18	6	hirosawa	hirosawa	NOUN
bibechana-79223	18	7	used	use	VERB
bibechana-79223	18	8	first	first	ADJ
bibechana-79223	18	9	principles	principle	NOUN
bibechana-79223	18	10	method	method	NOUN
bibechana-79223	18	11	to	to	PART
bibechana-79223	18	12	calculate	calculate	VERB
bibechana-79223	18	13	elastic	elastic	ADJ
bibechana-79223	18	14	properties	property	NOUN
bibechana-79223	18	15	of	of	ADP
bibechana-79223	18	16	three	three	NUM
bibechana-79223	18	17	different	different	ADJ
bibechana-79223	18	18	complex	complex	NOUN
bibechana-79223	18	19	of	of	ADP
bibechana-79223	18	20	cu	cu	PROPN
bibechana-79223	18	21	-	-	PUNCT
bibechana-79223	18	22	zn	zn	PROPN
bibechana-79223	18	23	system	system	NOUN
bibechana-79223	18	24	to	to	PART
bibechana-79223	18	25	improve	improve	VERB
bibechana-79223	18	26	the	the	DET
bibechana-79223	18	27	stiffness	stiffness	NOUN
bibechana-79223	18	28	of	of	ADP
bibechana-79223	18	29	aluminum	aluminum	NOUN
bibechana-79223	18	30	alloy	alloy	NOUN
bibechana-79223	18	31	[	[	X
bibechana-79223	18	32	4	4	NUM
bibechana-79223	18	33	]	]	PUNCT
bibechana-79223	18	34	.	.	PUNCT
bibechana-79223	19	1	similarly	similarly	ADV
bibechana-79223	19	2	,	,	PUNCT
bibechana-79223	19	3	liu	liu	PROPN
bibechana-79223	19	4	et	et	PROPN
bibechana-79223	19	5	al	al	PROPN
bibechana-79223	19	6	.	.	PROPN
bibechana-79223	19	7	studied	study	VERB
bibechana-79223	19	8	the	the	DET
bibechana-79223	19	9	structural	structural	ADJ
bibechana-79223	19	10	,	,	PUNCT
bibechana-79223	19	11	elastic	elastic	ADJ
bibechana-79223	19	12	,	,	PUNCT
bibechana-79223	19	13	and	and	CCONJ
bibechana-79223	19	14	electronic	electronic	ADJ
bibechana-79223	19	15	properties	property	NOUN
bibechana-79223	19	16	of	of	ADP
bibechana-79223	19	17	cu	cu	PROPN
bibechana-79223	19	18	-	-	PROPN
bibechana-79223	19	19	x	x	X
bibechana-79223	19	20	(	(	PUNCT
bibechana-79223	19	21	x	x	SYM
bibechana-79223	19	22	=	=	SYM
bibechana-79223	19	23	al	al	PROPN
bibechana-79223	19	24	,	,	PUNCT
bibechana-79223	19	25	be	be	AUX
bibechana-79223	19	26	,	,	PUNCT
bibechana-79223	19	27	mg	mg	PROPN
bibechana-79223	19	28	,	,	PUNCT
bibechana-79223	19	29	sn	sn	PROPN
bibechana-79223	19	30	,	,	PUNCT
bibechana-79223	19	31	zn	zn	PROPN
bibechana-79223	19	32	,	,	PUNCT
bibechana-79223	19	33	and	and	CCONJ
bibechana-79223	19	34	zr	zr	VERB
bibechana-79223	19	35	)	)	PUNCT
bibechana-79223	19	36	by	by	ADP
bibechana-79223	19	37	the	the	DET
bibechana-79223	19	38	first	first	ADJ
bibechana-79223	19	39	-	-	PUNCT
bibechana-79223	19	40	principles	principle	NOUN
bibechana-79223	19	41	calculations	calculation	NOUN
bibechana-79223	19	42	[	[	X
bibechana-79223	19	43	8	8	NUM
bibechana-79223	19	44	]	]	PUNCT
bibechana-79223	19	45	.	.	PUNCT
bibechana-79223	20	1	furthermore	furthermore	ADV
bibechana-79223	20	2	,	,	PUNCT
bibechana-79223	20	3	tang	tang	X
bibechana-79223	20	4	et	et	PROPN
bibechana-79223	20	5	al	al	PROPN
bibechana-79223	20	6	.	.	PROPN
bibechana-79223	20	7	used	use	VERB
bibechana-79223	20	8	a	a	DET
bibechana-79223	20	9	modified	modify	VERB
bibechana-79223	20	10	quasi	quasi	ADJ
bibechana-79223	20	11	-	-	ADJ
bibechana-79223	20	12	chemical	chemical	ADJ
bibechana-79223	20	13	model	model	NOUN
bibechana-79223	20	14	(	(	PUNCT
bibechana-79223	20	15	mqm	mqm	PROPN
bibechana-79223	20	16	)	)	PUNCT
bibechana-79223	20	17	to	to	PART
bibechana-79223	20	18	describe	describe	VERB
bibechana-79223	20	19	the	the	DET
bibechana-79223	20	20	gibbs	gibbs	PROPN
bibechana-79223	20	21	energy	energy	NOUN
bibechana-79223	20	22	of	of	ADP
bibechana-79223	20	23	the	the	DET
bibechana-79223	20	24	liquid	liquid	ADJ
bibechana-79223	20	25	phase	phase	NOUN
bibechana-79223	20	26	[	[	X
bibechana-79223	20	27	9	9	NUM
bibechana-79223	20	28	]	]	PUNCT
bibechana-79223	20	29	.	.	PUNCT
bibechana-79223	21	1	188	188	NUM
bibechana-79223	21	2	http://nepjol.info/index.php/bibechana	http://nepjol.info/index.php/bibechana	PROPN
bibechana-79223	21	3	sashit.yadav@mmamc.tu.edu.np	sashit.yadav@mmamc.tu.edu.np	PROPN
bibechana-79223	21	4	https://doi.org/10.3126/bibechana.v22i2.79223	https://doi.org/10.3126/bibechana.v22i2.79223	X
bibechana-79223	21	5	https://creativecommons.org/licenses/by-nc/4.0/	https://creativecommons.org/licenses/by-nc/4.0/	PRON
bibechana-79223	21	6	https://creativecommons.org/licenses/by-nc/4.0/	https://creativecommons.org/licenses/by-nc/4.0/	PROPN
bibechana-79223	21	7	shashit	shashit	NOUN
bibechana-79223	21	8	kumar	kumar	PROPN
bibechana-79223	21	9	yadav	yadav	PROPN
bibechana-79223	21	10	et	et	PROPN
bibechana-79223	21	11	al./	al./	ADV
bibechana-79223	21	12	bibechana	bibechana	PROPN
bibechana-79223	21	13	22	22	NUM
bibechana-79223	21	14	(	(	PUNCT
bibechana-79223	21	15	2025	2025	NUM
bibechana-79223	21	16	)	)	PUNCT
bibechana-79223	21	17	188	188	NUM
bibechana-79223	21	18	-	-	SYM
bibechana-79223	21	19	195	195	NUM
bibechana-79223	21	20	189	189	NUM
bibechana-79223	21	21	despite	despite	SCONJ
bibechana-79223	21	22	significant	significant	ADJ
bibechana-79223	21	23	progress	progress	NOUN
bibechana-79223	21	24	in	in	ADP
bibechana-79223	21	25	material	material	NOUN
bibechana-79223	21	26	science	science	NOUN
bibechana-79223	21	27	,	,	PUNCT
bibechana-79223	21	28	comprehensive	comprehensive	ADJ
bibechana-79223	21	29	studies	study	NOUN
bibechana-79223	21	30	that	that	PRON
bibechana-79223	21	31	integrate	integrate	VERB
bibechana-79223	21	32	structural	structural	ADJ
bibechana-79223	21	33	,	,	PUNCT
bibechana-79223	21	34	electronic	electronic	ADJ
bibechana-79223	21	35	,	,	PUNCT
bibechana-79223	21	36	elastic	elastic	ADJ
bibechana-79223	21	37	,	,	PUNCT
bibechana-79223	21	38	thermoelectric	thermoelectric	NOUN
bibechana-79223	21	39	,	,	PUNCT
bibechana-79223	21	40	and	and	CCONJ
bibechana-79223	21	41	thermal	thermal	ADJ
bibechana-79223	21	42	properties	property	NOUN
bibechana-79223	21	43	of	of	ADP
bibechana-79223	21	44	zncu	zncu	PROPN
bibechana-79223	21	45	crystal	crystal	NOUN
bibechana-79223	21	46	structure	structure	NOUN
bibechana-79223	21	47	are	be	AUX
bibechana-79223	21	48	still	still	ADV
bibechana-79223	21	49	sparse	sparse	ADJ
bibechana-79223	21	50	.	.	PUNCT
bibechana-79223	22	1	therefore	therefore	ADV
bibechana-79223	22	2	,	,	PUNCT
bibechana-79223	22	3	this	this	DET
bibechana-79223	22	4	work	work	NOUN
bibechana-79223	22	5	attempts	attempt	VERB
bibechana-79223	22	6	to	to	PART
bibechana-79223	22	7	explain	explain	VERB
bibechana-79223	22	8	these	these	DET
bibechana-79223	22	9	properties	property	NOUN
bibechana-79223	22	10	of	of	ADP
bibechana-79223	22	11	the	the	DET
bibechana-79223	22	12	zncu	zncu	PROPN
bibechana-79223	22	13	compound	compound	NOUN
bibechana-79223	22	14	using	use	VERB
bibechana-79223	22	15	the	the	DET
bibechana-79223	22	16	first	first	ADJ
bibechana-79223	22	17	principles	principle	NOUN
bibechana-79223	22	18	calculations	calculation	NOUN
bibechana-79223	22	19	employing	employ	VERB
bibechana-79223	22	20	quantum	quantum	ADJ
bibechana-79223	22	21	espresso	espresso	NOUN
bibechana-79223	22	22	codes	code	NOUN
bibechana-79223	22	23	[	[	X
bibechana-79223	22	24	10	10	NUM
bibechana-79223	22	25	]	]	PUNCT
bibechana-79223	22	26	.	.	PUNCT
bibechana-79223	23	1	2	2	NUM
bibechana-79223	23	2	computational	computational	ADJ
bibechana-79223	23	3	details	detail	NOUN
bibechana-79223	23	4	the	the	DET
bibechana-79223	23	5	first	first	ADJ
bibechana-79223	23	6	principles	principle	NOUN
bibechana-79223	23	7	calculation	calculation	NOUN
bibechana-79223	23	8	of	of	ADP
bibechana-79223	23	9	zncu	zncu	PROPN
bibechana-79223	23	10	structure	structure	NOUN
bibechana-79223	23	11	was	be	AUX
bibechana-79223	23	12	performed	perform	VERB
bibechana-79223	23	13	using	use	VERB
bibechana-79223	23	14	the	the	DET
bibechana-79223	23	15	quantum	quantum	ADJ
bibechana-79223	23	16	espresso	espresso	NOUN
bibechana-79223	23	17	software	software	NOUN
bibechana-79223	23	18	package	package	NOUN
bibechana-79223	23	19	[	[	X
bibechana-79223	23	20	10	10	NUM
bibechana-79223	23	21	]	]	PUNCT
bibechana-79223	23	22	.	.	PUNCT
bibechana-79223	24	1	the	the	DET
bibechana-79223	24	2	crystal	crystal	NOUN
bibechana-79223	24	3	structure	structure	NOUN
bibechana-79223	24	4	was	be	AUX
bibechana-79223	24	5	first	first	ADV
bibechana-79223	24	6	optimized	optimize	VERB
bibechana-79223	24	7	by	by	ADP
bibechana-79223	24	8	performing	perform	VERB
bibechana-79223	24	9	the	the	DET
bibechana-79223	24	10	vc	vc	NOUN
bibechana-79223	24	11	-	-	PUNCT
bibechana-79223	24	12	relax	relax	VERB
bibechana-79223	24	13	calculation	calculation	NOUN
bibechana-79223	24	14	using	use	VERB
bibechana-79223	24	15	perdew	perdew	PROPN
bibechana-79223	24	16	-	-	PUNCT
bibechana-79223	24	17	burke	burke	NOUN
bibechana-79223	24	18	-	-	PUNCT
bibechana-79223	24	19	ernzerhof	ernzerhof	NOUN
bibechana-79223	24	20	(	(	PUNCT
bibechana-79223	24	21	pbe	pbe	PROPN
bibechana-79223	24	22	)	)	PUNCT
bibechana-79223	24	23	of	of	ADP
bibechana-79223	24	24	scalar	scalar	ADJ
bibechana-79223	24	25	relativistic	relativistic	ADJ
bibechana-79223	24	26	exchange	exchange	NOUN
bibechana-79223	24	27	-	-	PUNCT
bibechana-79223	24	28	correlation	correlation	NOUN
bibechana-79223	24	29	functional	functional	ADJ
bibechana-79223	24	30	and	and	CCONJ
bibechana-79223	24	31	ionic	ionic	ADJ
bibechana-79223	24	32	potentials	potential	NOUN
bibechana-79223	24	33	described	describe	VERB
bibechana-79223	24	34	by	by	ADP
bibechana-79223	24	35	ultrasoft	ultrasoft	ADJ
bibechana-79223	24	36	pseudopotential	pseudopotential	PROPN
bibechana-79223	24	37	(	(	PUNCT
bibechana-79223	24	38	uspp	uspp	PROPN
bibechana-79223	24	39	)	)	PUNCT
bibechana-79223	24	40	for	for	ADP
bibechana-79223	24	41	zn	zn	PROPN
bibechana-79223	24	42	and	and	CCONJ
bibechana-79223	24	43	cu	cu	PROPN
bibechana-79223	24	44	downloaded	download	VERB
bibechana-79223	24	45	from	from	ADP
bibechana-79223	24	46	the	the	DET
bibechana-79223	24	47	material	material	ADJ
bibechana-79223	24	48	cloud	cloud	NOUN
bibechana-79223	24	49	website	website	NOUN
bibechana-79223	24	50	[	[	X
bibechana-79223	24	51	11	11	NUM
bibechana-79223	24	52	]	]	PUNCT
bibechana-79223	24	53	.	.	PUNCT
bibechana-79223	25	1	the	the	DET
bibechana-79223	25	2	plane	plane	NOUN
bibechana-79223	25	3	wave	wave	NOUN
bibechana-79223	25	4	cutoff	cutoff	NOUN
bibechana-79223	25	5	energy	energy	NOUN
bibechana-79223	25	6	was	be	AUX
bibechana-79223	25	7	set	set	VERB
bibechana-79223	25	8	to	to	ADP
bibechana-79223	25	9	40	40	NUM
bibechana-79223	25	10	ry	ry	NOUN
bibechana-79223	25	11	and	and	CCONJ
bibechana-79223	25	12	320	320	NUM
bibechana-79223	25	13	ry	ry	NOUN
bibechana-79223	25	14	was	be	AUX
bibechana-79223	25	15	set	set	VERB
bibechana-79223	25	16	for	for	ADP
bibechana-79223	25	17	the	the	DET
bibechana-79223	25	18	wave	wave	NOUN
bibechana-79223	25	19	function	function	NOUN
bibechana-79223	25	20	and	and	CCONJ
bibechana-79223	25	21	charge	charge	NOUN
bibechana-79223	25	22	density	density	NOUN
bibechana-79223	25	23	.	.	PUNCT
bibechana-79223	26	1	the	the	DET
bibechana-79223	26	2	brillouin	brillouin	PROPN
bibechana-79223	26	3	zone	zone	NOUN
bibechana-79223	26	4	was	be	AUX
bibechana-79223	26	5	determined	determine	VERB
bibechana-79223	26	6	using	use	VERB
bibechana-79223	26	7	monkhorst	monkhorst	NOUN
bibechana-79223	26	8	-	-	PUNCT
bibechana-79223	26	9	pack	pack	NOUN
bibechana-79223	26	10	for	for	ADP
bibechana-79223	26	11	self	self	NOUN
bibechana-79223	26	12	-	-	PUNCT
bibechana-79223	26	13	consistent	consistent	ADJ
bibechana-79223	26	14	field	field	NOUN
bibechana-79223	26	15	calculation	calculation	NOUN
bibechana-79223	26	16	and	and	CCONJ
bibechana-79223	26	17	for	for	ADP
bibechana-79223	26	18	density	density	NOUN
bibechana-79223	26	19	of	of	ADP
bibechana-79223	26	20	state	state	NOUN
bibechana-79223	26	21	(	(	PUNCT
bibechana-79223	26	22	dos	do	NOUN
bibechana-79223	26	23	)	)	PUNCT
bibechana-79223	26	24	calculation	calculation	NOUN
bibechana-79223	26	25	.	.	PUNCT
bibechana-79223	27	1	the	the	DET
bibechana-79223	27	2	electronic	electronic	ADJ
bibechana-79223	27	3	band	band	NOUN
bibechana-79223	27	4	structure	structure	NOUN
bibechana-79223	27	5	was	be	AUX
bibechana-79223	27	6	calculated	calculate	VERB
bibechana-79223	27	7	along	along	ADP
bibechana-79223	27	8	the	the	DET
bibechana-79223	27	9	highsymmetry	highsymmetry	NOUN
bibechana-79223	27	10	point	point	NOUN
bibechana-79223	27	11	in	in	ADP
bibechana-79223	27	12	the	the	DET
bibechana-79223	27	13	brillouin	brillouin	NOUN
bibechana-79223	27	14	zone	zone	NOUN
bibechana-79223	27	15	using	use	VERB
bibechana-79223	27	16	the	the	DET
bibechana-79223	27	17	path	path	NOUN
bibechana-79223	27	18	γ−x	γ−x	NOUN
bibechana-79223	27	19	−m	−m	NOUN
bibechana-79223	27	20	−	−	PROPN
bibechana-79223	27	21	γ−r−x|r−m	γ−r−x|r−m	PROPN
bibechana-79223	27	22	.	.	PUNCT
bibechana-79223	28	1	the	the	DET
bibechana-79223	28	2	bulk	bulk	ADJ
bibechana-79223	28	3	modulus	modulus	NOUN
bibechana-79223	28	4	was	be	AUX
bibechana-79223	28	5	calculated	calculate	VERB
bibechana-79223	28	6	using	use	VERB
bibechana-79223	28	7	the	the	DET
bibechana-79223	28	8	murnaghan	murnaghan	ADJ
bibechana-79223	28	9	equation	equation	NOUN
bibechana-79223	28	10	of	of	ADP
bibechana-79223	28	11	state	state	NOUN
bibechana-79223	28	12	using	use	VERB
bibechana-79223	28	13	the	the	DET
bibechana-79223	28	14	ev.x	ev.x	NOUN
bibechana-79223	28	15	utility	utility	NOUN
bibechana-79223	28	16	of	of	ADP
bibechana-79223	28	17	quantum	quantum	ADJ
bibechana-79223	28	18	espresso	espresso	NOUN
bibechana-79223	28	19	[	[	X
bibechana-79223	28	20	12	12	NUM
bibechana-79223	28	21	]	]	PUNCT
bibechana-79223	28	22	.	.	PUNCT
bibechana-79223	29	1	furthermore	furthermore	ADV
bibechana-79223	29	2	,	,	PUNCT
bibechana-79223	29	3	the	the	DET
bibechana-79223	29	4	thermo_pw	thermo_pw	PROPN
bibechana-79223	29	5	[	[	X
bibechana-79223	29	6	13	13	NUM
bibechana-79223	29	7	]	]	X
bibechana-79223	29	8	postprocessing	postprocessing	NOUN
bibechana-79223	29	9	tool	tool	NOUN
bibechana-79223	29	10	was	be	AUX
bibechana-79223	29	11	used	use	VERB
bibechana-79223	29	12	to	to	PART
bibechana-79223	29	13	calculate	calculate	VERB
bibechana-79223	29	14	the	the	DET
bibechana-79223	29	15	elastic	elastic	ADJ
bibechana-79223	29	16	constant	constant	NOUN
bibechana-79223	29	17	,	,	PUNCT
bibechana-79223	29	18	which	which	PRON
bibechana-79223	29	19	allowed	allow	VERB
bibechana-79223	29	20	for	for	ADP
bibechana-79223	29	21	the	the	DET
bibechana-79223	29	22	calculation	calculation	NOUN
bibechana-79223	29	23	of	of	ADP
bibechana-79223	29	24	mechanical	mechanical	ADJ
bibechana-79223	29	25	properties	property	NOUN
bibechana-79223	29	26	such	such	ADJ
bibechana-79223	29	27	as	as	ADP
bibechana-79223	29	28	bulk	bulk	ADJ
bibechana-79223	29	29	modulus	modulus	NOUN
bibechana-79223	29	30	,	,	PUNCT
bibechana-79223	29	31	young	young	ADJ
bibechana-79223	29	32	modulus	modulus	NOUN
bibechana-79223	29	33	,	,	PUNCT
bibechana-79223	29	34	shear	shear	NOUN
bibechana-79223	29	35	modulus	modulus	NOUN
bibechana-79223	29	36	,	,	PUNCT
bibechana-79223	29	37	and	and	CCONJ
bibechana-79223	29	38	poisson	poisson	PROPN
bibechana-79223	29	39	ratio	ratio	NOUN
bibechana-79223	29	40	of	of	ADP
bibechana-79223	29	41	the	the	DET
bibechana-79223	29	42	material	material	NOUN
bibechana-79223	29	43	.	.	PUNCT
bibechana-79223	30	1	electronic	electronic	ADJ
bibechana-79223	30	2	transport	transport	NOUN
bibechana-79223	30	3	properties	property	NOUN
bibechana-79223	30	4	were	be	AUX
bibechana-79223	30	5	calculated	calculate	VERB
bibechana-79223	30	6	with	with	ADP
bibechana-79223	30	7	the	the	DET
bibechana-79223	30	8	help	help	NOUN
bibechana-79223	30	9	of	of	ADP
bibechana-79223	30	10	the	the	DET
bibechana-79223	30	11	boltztrap	boltztrap	NOUN
bibechana-79223	30	12	code	code	NOUN
bibechana-79223	30	13	[	[	X
bibechana-79223	30	14	12	12	NUM
bibechana-79223	30	15	,	,	PUNCT
bibechana-79223	30	16	14	14	NUM
bibechana-79223	30	17	]	]	PUNCT
bibechana-79223	30	18	.	.	PUNCT
bibechana-79223	31	1	the	the	DET
bibechana-79223	31	2	output	output	NOUN
bibechana-79223	31	3	information	information	NOUN
bibechana-79223	31	4	of	of	ADP
bibechana-79223	31	5	nonself	nonself	NOUN
bibechana-79223	31	6	-	-	PUNCT
bibechana-79223	31	7	consistent	consistent	ADJ
bibechana-79223	31	8	field	field	NOUN
bibechana-79223	31	9	calculation	calculation	NOUN
bibechana-79223	31	10	was	be	AUX
bibechana-79223	31	11	used	use	VERB
bibechana-79223	31	12	as	as	ADP
bibechana-79223	31	13	input	input	NOUN
bibechana-79223	31	14	for	for	ADP
bibechana-79223	31	15	boltztrap	boltztrap	NOUN
bibechana-79223	31	16	software	software	NOUN
bibechana-79223	31	17	,	,	PUNCT
bibechana-79223	31	18	which	which	PRON
bibechana-79223	31	19	solves	solve	VERB
bibechana-79223	31	20	the	the	DET
bibechana-79223	31	21	boltzmann	boltzmann	PROPN
bibechana-79223	31	22	transport	transport	NOUN
bibechana-79223	31	23	equation	equation	NOUN
bibechana-79223	31	24	to	to	PART
bibechana-79223	31	25	determine	determine	VERB
bibechana-79223	31	26	electrical	electrical	ADJ
bibechana-79223	31	27	conductivity	conductivity	NOUN
bibechana-79223	31	28	,	,	PUNCT
bibechana-79223	31	29	seebeck	seebeck	NOUN
bibechana-79223	31	30	coefficient	coefficient	NOUN
bibechana-79223	31	31	,	,	PUNCT
bibechana-79223	31	32	and	and	CCONJ
bibechana-79223	31	33	thermal	thermal	ADJ
bibechana-79223	31	34	conductivity	conductivity	NOUN
bibechana-79223	31	35	.	.	PUNCT
bibechana-79223	32	1	the	the	DET
bibechana-79223	32	2	phonon	phonon	NOUN
bibechana-79223	32	3	calculation	calculation	NOUN
bibechana-79223	32	4	was	be	AUX
bibechana-79223	32	5	executed	execute	VERB
bibechana-79223	32	6	in	in	ADP
bibechana-79223	32	7	the	the	DET
bibechana-79223	32	8	phonopy	phonopy	NOUN
bibechana-79223	32	9	package	package	NOUN
bibechana-79223	32	10	[	[	X
bibechana-79223	32	11	15	15	NUM
bibechana-79223	32	12	]	]	PUNCT
bibechana-79223	32	13	using	use	VERB
bibechana-79223	32	14	the	the	DET
bibechana-79223	32	15	finite	finite	ADJ
bibechana-79223	32	16	displacement	displacement	NOUN
bibechana-79223	32	17	method	method	NOUN
bibechana-79223	32	18	on	on	ADP
bibechana-79223	32	19	a	a	DET
bibechana-79223	32	20	supercell	supercell	NOUN
bibechana-79223	32	21	.	.	PUNCT
bibechana-79223	33	1	finally	finally	ADV
bibechana-79223	33	2	,	,	PUNCT
bibechana-79223	33	3	thermal	thermal	ADJ
bibechana-79223	33	4	properties	property	NOUN
bibechana-79223	33	5	such	such	ADJ
bibechana-79223	33	6	as	as	ADP
bibechana-79223	33	7	heat	heat	NOUN
bibechana-79223	33	8	capacity	capacity	NOUN
bibechana-79223	33	9	at	at	ADP
bibechana-79223	33	10	constant	constant	ADJ
bibechana-79223	33	11	volume	volume	NOUN
bibechana-79223	33	12	,	,	PUNCT
bibechana-79223	33	13	free	free	ADJ
bibechana-79223	33	14	energy	energy	NOUN
bibechana-79223	33	15	,	,	PUNCT
bibechana-79223	33	16	and	and	CCONJ
bibechana-79223	33	17	entropy	entropy	NOUN
bibechana-79223	33	18	were	be	AUX
bibechana-79223	33	19	calculated	calculate	VERB
bibechana-79223	33	20	.	.	PUNCT
bibechana-79223	34	1	3	3	NUM
bibechana-79223	34	2	results	result	NOUN
bibechana-79223	34	3	and	and	CCONJ
bibechana-79223	34	4	discussion	discussion	NOUN
bibechana-79223	34	5	3.1	3.1	NUM
bibechana-79223	34	6	structural	structural	ADJ
bibechana-79223	34	7	properties	property	NOUN
bibechana-79223	34	8	figure	figure	VERB
bibechana-79223	34	9	1	1	NUM
bibechana-79223	34	10	shows	show	VERB
bibechana-79223	34	11	the	the	DET
bibechana-79223	34	12	zncu	zncu	PROPN
bibechana-79223	34	13	crystal	crystal	PROPN
bibechana-79223	34	14	structure	structure	NOUN
bibechana-79223	34	15	which	which	PRON
bibechana-79223	34	16	is	be	AUX
bibechana-79223	34	17	a	a	DET
bibechana-79223	34	18	tetraauricupride	tetraauricupride	ADJ
bibechana-79223	34	19	cubic	cubic	ADJ
bibechana-79223	34	20	structure	structure	NOUN
bibechana-79223	34	21	in	in	ADP
bibechana-79223	34	22	space	space	NOUN
bibechana-79223	34	23	group	group	NOUN
bibechana-79223	34	24	pm3	pm3	PROPN
bibechana-79223	34	25	m	m	PROPN
bibechana-79223	34	26	with	with	ADP
bibechana-79223	34	27	all	all	DET
bibechana-79223	34	28	bond	bond	NOUN
bibechana-79223	34	29	lengths	length	NOUN
bibechana-79223	34	30	of	of	ADP
bibechana-79223	34	31	2.53	2.53	NUM
bibechana-79223	34	32	å	å	NOUN
bibechana-79223	34	33	.	.	PUNCT
bibechana-79223	35	1	zn	zn	PROPN
bibechana-79223	35	2	is	be	AUX
bibechana-79223	35	3	bonded	bond	VERB
bibechana-79223	35	4	with	with	ADP
bibechana-79223	35	5	eight	eight	NUM
bibechana-79223	35	6	cu	cu	NOUN
bibechana-79223	35	7	atoms	atom	NOUN
bibechana-79223	35	8	in	in	ADP
bibechana-79223	35	9	body	body	NOUN
bibechana-79223	35	10	centered	center	VERB
bibechana-79223	35	11	geometry	geometry	NOUN
bibechana-79223	35	12	[	[	X
bibechana-79223	35	13	16	16	NUM
bibechana-79223	35	14	]	]	PUNCT
bibechana-79223	35	15	.	.	PUNCT
bibechana-79223	36	1	figure	figure	NOUN
bibechana-79223	36	2	1	1	NUM
bibechana-79223	36	3	:	:	PUNCT
bibechana-79223	36	4	crystal	crystal	NOUN
bibechana-79223	36	5	structure	structure	NOUN
bibechana-79223	36	6	of	of	ADP
bibechana-79223	36	7	zncu	zncu	PROPN
bibechana-79223	36	8	.	.	PUNCT
bibechana-79223	37	1	using	use	VERB
bibechana-79223	37	2	the	the	DET
bibechana-79223	37	3	first	first	ADJ
bibechana-79223	37	4	principles	principle	NOUN
bibechana-79223	37	5	calculations	calculation	NOUN
bibechana-79223	37	6	in	in	ADP
bibechana-79223	37	7	quantum	quantum	ADJ
bibechana-79223	37	8	espresso	espresso	NOUN
bibechana-79223	37	9	software	software	NOUN
bibechana-79223	37	10	,	,	PUNCT
bibechana-79223	37	11	the	the	DET
bibechana-79223	37	12	total	total	ADJ
bibechana-79223	37	13	energies	energy	NOUN
bibechana-79223	37	14	were	be	AUX
bibechana-79223	37	15	minimized	minimize	VERB
bibechana-79223	37	16	as	as	ADP
bibechana-79223	37	17	a	a	DET
bibechana-79223	37	18	function	function	NOUN
bibechana-79223	37	19	of	of	ADP
bibechana-79223	37	20	the	the	DET
bibechana-79223	37	21	lattice	lattice	NOUN
bibechana-79223	37	22	parameter	parameter	NOUN
bibechana-79223	37	23	for	for	ADP
bibechana-79223	37	24	the	the	DET
bibechana-79223	37	25	material	material	NOUN
bibechana-79223	37	26	.	.	PUNCT
bibechana-79223	38	1	the	the	DET
bibechana-79223	38	2	lattice	lattice	PROPN
bibechana-79223	38	3	parameter	parameter	NOUN
bibechana-79223	38	4	(	(	PUNCT
bibechana-79223	38	5	a	a	X
bibechana-79223	38	6	)	)	PUNCT
bibechana-79223	38	7	,	,	PUNCT
bibechana-79223	38	8	bulk	bulk	ADJ
bibechana-79223	38	9	modulus	modulus	NOUN
bibechana-79223	38	10	(	(	PUNCT
bibechana-79223	38	11	b0	b0	NOUN
bibechana-79223	38	12	=	=	PUNCT
bibechana-79223	38	13	−v	−v	PROPN
bibechana-79223	38	14	∂p	∂p	PROPN
bibechana-79223	38	15	∂v	∂v	PROPN
bibechana-79223	38	16	)	)	PUNCT
bibechana-79223	38	17	,	,	PUNCT
bibechana-79223	38	18	and	and	CCONJ
bibechana-79223	38	19	pressure	pressure	NOUN
bibechana-79223	38	20	derivative	derivative	NOUN
bibechana-79223	38	21	(	(	PUNCT
bibechana-79223	38	22	b′	b′	NUM
bibechana-79223	38	23	)	)	PUNCT
bibechana-79223	38	24	of	of	ADP
bibechana-79223	38	25	the	the	DET
bibechana-79223	38	26	zncu	zncu	PROPN
bibechana-79223	38	27	crystal	crystal	PROPN
bibechana-79223	38	28	structure	structure	NOUN
bibechana-79223	38	29	are	be	AUX
bibechana-79223	38	30	derived	derive	VERB
bibechana-79223	38	31	by	by	ADP
bibechana-79223	38	32	fitting	fit	VERB
bibechana-79223	38	33	the	the	DET
bibechana-79223	38	34	murnaghan	murnaghan	ADJ
bibechana-79223	38	35	equation	equation	NOUN
bibechana-79223	38	36	of	of	ADP
bibechana-79223	38	37	state	state	NOUN
bibechana-79223	38	38	as	as	ADP
bibechana-79223	38	39	[	[	X
bibechana-79223	38	40	17	17	NUM
bibechana-79223	38	41	]	]	X
bibechana-79223	38	42	p	p	X
bibechana-79223	38	43	(	(	PUNCT
bibechana-79223	38	44	v	v	NOUN
bibechana-79223	38	45	)	)	PUNCT
bibechana-79223	38	46	=	=	SYM
bibechana-79223	38	47	b0	b0	NOUN
bibechana-79223	38	48	b′	b′	NOUN
bibechana-79223	39	1	[	[	X
bibechana-79223	39	2	(	(	PUNCT
bibechana-79223	39	3	v0	v0	NOUN
bibechana-79223	39	4	v	v	NOUN
bibechana-79223	39	5	)	)	PUNCT
bibechana-79223	39	6	b′	b′	NUM
bibechana-79223	39	7	−	−	NOUN
bibechana-79223	39	8	1	1	NUM
bibechana-79223	39	9	]	]	PUNCT
bibechana-79223	39	10	(	(	PUNCT
bibechana-79223	39	11	1	1	X
bibechana-79223	39	12	)	)	PUNCT
bibechana-79223	39	13	where	where	SCONJ
bibechana-79223	39	14	v0	v0	NOUN
bibechana-79223	39	15	is	be	AUX
bibechana-79223	39	16	the	the	DET
bibechana-79223	39	17	equilibrium	equilibrium	NOUN
bibechana-79223	39	18	volume	volume	NOUN
bibechana-79223	39	19	and	and	CCONJ
bibechana-79223	39	20	b′	b′	NUM
bibechana-79223	39	21	=	=	SYM
bibechana-79223	39	22	db	db	PROPN
bibechana-79223	39	23	/	/	SYM
bibechana-79223	39	24	dp	dp	NOUN
bibechana-79223	39	25	.	.	PUNCT
bibechana-79223	40	1	the	the	DET
bibechana-79223	40	2	murnaghan	murnaghan	ADJ
bibechana-79223	40	3	equation	equation	NOUN
bibechana-79223	40	4	of	of	ADP
bibechana-79223	40	5	state	state	NOUN
bibechana-79223	40	6	is	be	AUX
bibechana-79223	40	7	fitted	fit	VERB
bibechana-79223	40	8	using	use	VERB
bibechana-79223	40	9	the	the	DET
bibechana-79223	40	10	ev.x	ev.x	NOUN
bibechana-79223	40	11	tool	tool	NOUN
bibechana-79223	40	12	of	of	ADP
bibechana-79223	40	13	quantum	quantum	ADJ
bibechana-79223	40	14	espresso	espresso	NOUN
bibechana-79223	40	15	to	to	PART
bibechana-79223	40	16	calculate	calculate	VERB
bibechana-79223	40	17	total	total	ADJ
bibechana-79223	40	18	energy	energy	NOUN
bibechana-79223	40	19	as	as	ADP
bibechana-79223	40	20	a	a	DET
bibechana-79223	40	21	function	function	NOUN
bibechana-79223	40	22	of	of	ADP
bibechana-79223	40	23	unit	unit	NOUN
bibechana-79223	40	24	cell	cell	NOUN
bibechana-79223	40	25	volume	volume	NOUN
bibechana-79223	40	26	.	.	PUNCT
bibechana-79223	41	1	the	the	DET
bibechana-79223	41	2	obtained	obtain	VERB
bibechana-79223	41	3	value	value	NOUN
bibechana-79223	41	4	of	of	ADP
bibechana-79223	41	5	the	the	DET
bibechana-79223	41	6	lattice	lattice	PROPN
bibechana-79223	41	7	parameter	parameter	NOUN
bibechana-79223	41	8	is	be	AUX
bibechana-79223	41	9	2.96628	2.96628	NUM
bibechana-79223	41	10	å	å	NOUN
bibechana-79223	41	11	,	,	PUNCT
bibechana-79223	41	12	which	which	PRON
bibechana-79223	41	13	is	be	AUX
bibechana-79223	41	14	consistent	consistent	ADJ
bibechana-79223	41	15	with	with	ADP
bibechana-79223	41	16	the	the	DET
bibechana-79223	41	17	experimental	experimental	ADJ
bibechana-79223	41	18	value	value	NOUN
bibechana-79223	41	19	of	of	ADP
bibechana-79223	41	20	2.959	2.959	NUM
bibechana-79223	41	21	å	å	PROPN
bibechana-79223	41	22	[	[	X
bibechana-79223	41	23	4	4	NUM
bibechana-79223	41	24	]	]	PUNCT
bibechana-79223	41	25	.	.	PUNCT
bibechana-79223	42	1	similarly	similarly	ADV
bibechana-79223	42	2	,	,	PUNCT
bibechana-79223	42	3	bulk	bulk	ADJ
bibechana-79223	42	4	modulus	modulus	NOUN
bibechana-79223	42	5	(	(	PUNCT
bibechana-79223	42	6	b0	b0	NOUN
bibechana-79223	42	7	)	)	PUNCT
bibechana-79223	42	8	and	and	CCONJ
bibechana-79223	42	9	its	its	PRON
bibechana-79223	42	10	pressure	pressure	NOUN
bibechana-79223	42	11	derivative	derivative	NOUN
bibechana-79223	42	12	(	(	PUNCT
bibechana-79223	42	13	b′	b′	NUM
bibechana-79223	42	14	)	)	PUNCT
bibechana-79223	42	15	are	be	AUX
bibechana-79223	42	16	found	find	VERB
bibechana-79223	42	17	to	to	PART
bibechana-79223	42	18	be	be	AUX
bibechana-79223	42	19	115.00	115.00	NUM
bibechana-79223	42	20	gpa	gpa	NOUN
bibechana-79223	42	21	and	and	CCONJ
bibechana-79223	42	22	5.02	5.02	NUM
bibechana-79223	42	23	,	,	PUNCT
bibechana-79223	42	24	respectively	respectively	ADV
bibechana-79223	42	25	.	.	PUNCT
bibechana-79223	43	1	the	the	DET
bibechana-79223	43	2	obtained	obtain	VERB
bibechana-79223	43	3	value	value	NOUN
bibechana-79223	43	4	of	of	ADP
bibechana-79223	43	5	bulk	bulk	ADJ
bibechana-79223	43	6	modulus	modulus	NOUN
bibechana-79223	43	7	is	be	AUX
bibechana-79223	43	8	in	in	ADP
bibechana-79223	43	9	good	good	ADJ
bibechana-79223	43	10	agreement	agreement	NOUN
bibechana-79223	43	11	with	with	ADP
bibechana-79223	43	12	the	the	DET
bibechana-79223	43	13	value	value	NOUN
bibechana-79223	43	14	in	in	ADP
bibechana-79223	43	15	the	the	DET
bibechana-79223	43	16	materials	material	NOUN
bibechana-79223	43	17	project	project	NOUN
bibechana-79223	43	18	database	database	NOUN
bibechana-79223	43	19	,	,	PUNCT
bibechana-79223	43	20	which	which	PRON
bibechana-79223	43	21	is	be	AUX
bibechana-79223	43	22	116.00	116.00	NUM
bibechana-79223	43	23	gpa	gpa	NOUN
bibechana-79223	43	24	[	[	X
bibechana-79223	43	25	18	18	NUM
bibechana-79223	43	26	]	]	PUNCT
bibechana-79223	43	27	;	;	PUNCT
bibechana-79223	43	28	validating	validate	VERB
bibechana-79223	43	29	the	the	DET
bibechana-79223	43	30	present	present	ADJ
bibechana-79223	43	31	computational	computational	ADJ
bibechana-79223	43	32	approaches	approach	NOUN
bibechana-79223	43	33	.	.	PUNCT
bibechana-79223	44	1	3.2	3.2	NUM
bibechana-79223	44	2	vibrational	vibrational	ADJ
bibechana-79223	44	3	properties	property	NOUN
bibechana-79223	44	4	the	the	DET
bibechana-79223	44	5	phonon	phonon	NOUN
bibechana-79223	44	6	serves	serve	VERB
bibechana-79223	44	7	as	as	ADP
bibechana-79223	44	8	a	a	DET
bibechana-79223	44	9	medium	medium	NOUN
bibechana-79223	44	10	for	for	ADP
bibechana-79223	44	11	understanding	understand	VERB
bibechana-79223	44	12	transmission	transmission	NOUN
bibechana-79223	44	13	of	of	ADP
bibechana-79223	44	14	vibrational	vibrational	ADJ
bibechana-79223	44	15	energy	energy	NOUN
bibechana-79223	44	16	in	in	ADP
bibechana-79223	44	17	the	the	DET
bibechana-79223	44	18	material	material	NOUN
bibechana-79223	44	19	.	.	PUNCT
bibechana-79223	45	1	utilizing	utilize	VERB
bibechana-79223	45	2	the	the	DET
bibechana-79223	45	3	phonopy	phonopy	NOUN
bibechana-79223	45	4	algorithm	algorithm	NOUN
bibechana-79223	46	1	[	[	X
bibechana-79223	46	2	15	15	NUM
bibechana-79223	46	3	]	]	PUNCT
bibechana-79223	46	4	,	,	PUNCT
bibechana-79223	46	5	the	the	DET
bibechana-79223	46	6	phonon	phonon	NOUN
bibechana-79223	46	7	frequency	frequency	NOUN
bibechana-79223	46	8	of	of	ADP
bibechana-79223	46	9	zncu	zncu	PROPN
bibechana-79223	46	10	was	be	AUX
bibechana-79223	46	11	calculated	calculate	VERB
bibechana-79223	46	12	.	.	PUNCT
bibechana-79223	47	1	a	a	DET
bibechana-79223	47	2	2×2×2	2×2×2	NUM
bibechana-79223	47	3	supercell	supercell	NOUN
bibechana-79223	47	4	was	be	AUX
bibechana-79223	47	5	created	create	VERB
bibechana-79223	47	6	to	to	PART
bibechana-79223	47	7	collect	collect	VERB
bibechana-79223	47	8	force	force	NOUN
bibechana-79223	47	9	sets	set	NOUN
bibechana-79223	47	10	for	for	ADP
bibechana-79223	47	11	analyzing	analyze	VERB
bibechana-79223	47	12	the	the	DET
bibechana-79223	47	13	phonon	phonon	NOUN
bibechana-79223	47	14	band	band	NOUN
bibechana-79223	47	15	structures	structure	NOUN
bibechana-79223	47	16	and	and	CCONJ
bibechana-79223	47	17	phonon	phonon	VERB
bibechana-79223	47	18	density	density	NOUN
bibechana-79223	47	19	of	of	ADP
bibechana-79223	47	20	states	state	NOUN
bibechana-79223	47	21	(	(	PUNCT
bibechana-79223	47	22	dos	dos	PROPN
bibechana-79223	47	23	)	)	PUNCT
bibechana-79223	47	24	.	.	PUNCT
bibechana-79223	48	1	the	the	DET
bibechana-79223	48	2	phonon	phonon	NOUN
bibechana-79223	48	3	dispersion	dispersion	NOUN
bibechana-79223	48	4	curves	curve	NOUN
bibechana-79223	48	5	and	and	CCONJ
bibechana-79223	48	6	the	the	DET
bibechana-79223	48	7	corresponding	corresponding	ADJ
bibechana-79223	48	8	phonon	phonon	NOUN
bibechana-79223	48	9	density	density	NOUN
bibechana-79223	48	10	of	of	ADP
bibechana-79223	48	11	states	state	NOUN
bibechana-79223	48	12	(	(	PUNCT
bibechana-79223	48	13	dos	do	NOUN
bibechana-79223	48	14	)	)	PUNCT
bibechana-79223	48	15	of	of	ADP
bibechana-79223	48	16	zncu	zncu	PROPN
bibechana-79223	48	17	are	be	AUX
bibechana-79223	48	18	shown	show	VERB
bibechana-79223	48	19	in	in	ADP
bibechana-79223	48	20	figure	figure	NOUN
bibechana-79223	48	21	2	2	NUM
bibechana-79223	48	22	.	.	PUNCT
bibechana-79223	49	1	these	these	DET
bibechana-79223	49	2	calculations	calculation	NOUN
bibechana-79223	49	3	shashit	shashit	VERB
bibechana-79223	49	4	kumar	kumar	PROPN
bibechana-79223	49	5	yadav	yadav	PROPN
bibechana-79223	49	6	et	et	PROPN
bibechana-79223	49	7	al./	al./	ADV
bibechana-79223	49	8	bibechana	bibechana	PROPN
bibechana-79223	49	9	22	22	NUM
bibechana-79223	49	10	(	(	PUNCT
bibechana-79223	49	11	2025	2025	NUM
bibechana-79223	49	12	)	)	PUNCT
bibechana-79223	49	13	188	188	NUM
bibechana-79223	49	14	-	-	SYM
bibechana-79223	49	15	195	195	NUM
bibechana-79223	49	16	190	190	NUM
bibechana-79223	49	17	were	be	AUX
bibechana-79223	49	18	performed	perform	VERB
bibechana-79223	49	19	to	to	PART
bibechana-79223	49	20	assess	assess	VERB
bibechana-79223	49	21	the	the	DET
bibechana-79223	49	22	dynamical	dynamical	ADJ
bibechana-79223	49	23	stability	stability	NOUN
bibechana-79223	49	24	and	and	CCONJ
bibechana-79223	49	25	lattice	lattice	PROPN
bibechana-79223	49	26	vibrational	vibrational	ADJ
bibechana-79223	49	27	behavior	behavior	NOUN
bibechana-79223	49	28	of	of	ADP
bibechana-79223	49	29	the	the	DET
bibechana-79223	49	30	compound	compound	NOUN
bibechana-79223	49	31	.	.	PUNCT
bibechana-79223	50	1	the	the	DET
bibechana-79223	50	2	phonon	phonon	NOUN
bibechana-79223	50	3	dispersion	dispersion	NOUN
bibechana-79223	50	4	curve	curve	NOUN
bibechana-79223	50	5	displays	display	VERB
bibechana-79223	50	6	the	the	DET
bibechana-79223	50	7	vibrational	vibrational	ADJ
bibechana-79223	50	8	frequencies	frequency	NOUN
bibechana-79223	50	9	along	along	ADP
bibechana-79223	50	10	high	high	ADJ
bibechana-79223	50	11	-	-	PUNCT
bibechana-79223	50	12	symmetry	symmetry	NOUN
bibechana-79223	50	13	directions	direction	NOUN
bibechana-79223	50	14	in	in	ADP
bibechana-79223	50	15	the	the	DET
bibechana-79223	50	16	brillouin	brillouin	NOUN
bibechana-79223	50	17	zone	zone	NOUN
bibechana-79223	50	18	.	.	PUNCT
bibechana-79223	51	1	importantly	importantly	ADV
bibechana-79223	51	2	,	,	PUNCT
bibechana-79223	51	3	no	no	DET
bibechana-79223	51	4	imaginary	imaginary	ADJ
bibechana-79223	51	5	frequencies	frequency	NOUN
bibechana-79223	51	6	(	(	PUNCT
bibechana-79223	51	7	i.e.	i.e.	X
bibechana-79223	51	8	,	,	PUNCT
bibechana-79223	51	9	frequencies	frequency	NOUN
bibechana-79223	51	10	below	below	ADP
bibechana-79223	51	11	zero	zero	NUM
bibechana-79223	51	12	)	)	PUNCT
bibechana-79223	51	13	are	be	AUX
bibechana-79223	51	14	observed	observe	VERB
bibechana-79223	51	15	throughout	throughout	ADP
bibechana-79223	51	16	the	the	DET
bibechana-79223	51	17	entire	entire	ADJ
bibechana-79223	51	18	brillouin	brillouin	NOUN
bibechana-79223	51	19	zone	zone	NOUN
bibechana-79223	51	20	,	,	PUNCT
bibechana-79223	51	21	indicating	indicate	VERB
bibechana-79223	51	22	that	that	SCONJ
bibechana-79223	51	23	the	the	DET
bibechana-79223	51	24	zncu	zncu	PROPN
bibechana-79223	51	25	structure	structure	NOUN
bibechana-79223	51	26	is	be	AUX
bibechana-79223	51	27	dynamically	dynamically	ADV
bibechana-79223	51	28	stable	stable	ADJ
bibechana-79223	51	29	in	in	ADP
bibechana-79223	51	30	its	its	PRON
bibechana-79223	51	31	equilibrium	equilibrium	NOUN
bibechana-79223	51	32	configuration	configuration	NOUN
bibechana-79223	51	33	.	.	PUNCT
bibechana-79223	52	1	the	the	DET
bibechana-79223	52	2	phonon	phonon	NOUN
bibechana-79223	52	3	spectrum	spectrum	NOUN
bibechana-79223	52	4	features	feature	VERB
bibechana-79223	52	5	both	both	CCONJ
bibechana-79223	52	6	acoustic	acoustic	ADJ
bibechana-79223	52	7	and	and	CCONJ
bibechana-79223	52	8	optical	optical	ADJ
bibechana-79223	52	9	branches	branch	NOUN
bibechana-79223	52	10	.	.	PUNCT
bibechana-79223	53	1	the	the	DET
bibechana-79223	53	2	acoustic	acoustic	ADJ
bibechana-79223	53	3	modes	mode	NOUN
bibechana-79223	53	4	originate	originate	VERB
bibechana-79223	53	5	from	from	ADP
bibechana-79223	53	6	the	the	DET
bibechana-79223	53	7	γpoint	γpoint	NOUN
bibechana-79223	53	8	and	and	CCONJ
bibechana-79223	53	9	extend	extend	VERB
bibechana-79223	53	10	up	up	ADP
bibechana-79223	53	11	to	to	ADP
bibechana-79223	53	12	about	about	ADV
bibechana-79223	53	13	4	4	NUM
bibechana-79223	53	14	thz	thz	NUM
bibechana-79223	53	15	,	,	PUNCT
bibechana-79223	53	16	while	while	SCONJ
bibechana-79223	53	17	the	the	DET
bibechana-79223	53	18	optical	optical	ADJ
bibechana-79223	53	19	modes	mode	NOUN
bibechana-79223	53	20	span	span	VERB
bibechana-79223	53	21	from	from	ADP
bibechana-79223	53	22	about	about	ADV
bibechana-79223	53	23	4	4	NUM
bibechana-79223	53	24	thz	thz	NOUN
bibechana-79223	53	25	to	to	ADP
bibechana-79223	53	26	over	over	ADP
bibechana-79223	53	27	6.5	6.5	NUM
bibechana-79223	53	28	thz	thz	NOUN
bibechana-79223	53	29	.	.	PUNCT
bibechana-79223	54	1	the	the	DET
bibechana-79223	54	2	separation	separation	NOUN
bibechana-79223	54	3	between	between	ADP
bibechana-79223	54	4	the	the	DET
bibechana-79223	54	5	acoustic	acoustic	ADJ
bibechana-79223	54	6	and	and	CCONJ
bibechana-79223	54	7	optical	optical	ADJ
bibechana-79223	54	8	branches	branch	NOUN
bibechana-79223	54	9	suggests	suggest	VERB
bibechana-79223	54	10	a	a	DET
bibechana-79223	54	11	moderate	moderate	ADJ
bibechana-79223	54	12	mass	mass	NOUN
bibechana-79223	54	13	difference	difference	NOUN
bibechana-79223	54	14	between	between	ADP
bibechana-79223	54	15	zn	zn	PROPN
bibechana-79223	54	16	and	and	CCONJ
bibechana-79223	54	17	cu	cu	PROPN
bibechana-79223	54	18	atoms	atom	NOUN
bibechana-79223	54	19	and	and	CCONJ
bibechana-79223	54	20	indicates	indicate	VERB
bibechana-79223	54	21	potential	potential	ADJ
bibechana-79223	54	22	phonon	phonon	NOUN
bibechana-79223	54	23	scattering	scatter	VERB
bibechana-79223	54	24	behavior	behavior	NOUN
bibechana-79223	54	25	relevant	relevant	ADJ
bibechana-79223	54	26	to	to	ADP
bibechana-79223	54	27	thermal	thermal	ADJ
bibechana-79223	54	28	transport	transport	NOUN
bibechana-79223	54	29	.	.	PUNCT
bibechana-79223	55	1	the	the	DET
bibechana-79223	55	2	phonon	phonon	NOUN
bibechana-79223	55	3	density	density	NOUN
bibechana-79223	55	4	of	of	ADP
bibechana-79223	55	5	state	state	NOUN
bibechana-79223	55	6	(	(	PUNCT
bibechana-79223	55	7	dos	dos	PROPN
bibechana-79223	55	8	)	)	PUNCT
bibechana-79223	55	9	exhibits	exhibit	VERB
bibechana-79223	55	10	multiple	multiple	ADJ
bibechana-79223	55	11	sharp	sharp	ADJ
bibechana-79223	55	12	peaks	peak	NOUN
bibechana-79223	55	13	,	,	PUNCT
bibechana-79223	55	14	especially	especially	ADV
bibechana-79223	55	15	in	in	ADP
bibechana-79223	55	16	the	the	DET
bibechana-79223	55	17	highfrequency	highfrequency	NOUN
bibechana-79223	55	18	region	region	NOUN
bibechana-79223	55	19	(	(	PUNCT
bibechana-79223	55	20	4–7	4–7	NOUN
bibechana-79223	55	21	thz	thz	PROPN
bibechana-79223	55	22	)	)	PUNCT
bibechana-79223	55	23	,	,	PUNCT
bibechana-79223	55	24	corresponding	correspond	VERB
bibechana-79223	55	25	to	to	ADP
bibechana-79223	55	26	localized	localized	ADJ
bibechana-79223	55	27	optical	optical	ADJ
bibechana-79223	55	28	modes	mode	NOUN
bibechana-79223	55	29	.	.	PUNCT
bibechana-79223	56	1	the	the	DET
bibechana-79223	56	2	lower	low	ADJ
bibechana-79223	56	3	-	-	PUNCT
bibechana-79223	56	4	frequency	frequency	NOUN
bibechana-79223	56	5	region	region	NOUN
bibechana-79223	56	6	shows	show	VERB
bibechana-79223	56	7	a	a	DET
bibechana-79223	56	8	more	more	ADV
bibechana-79223	56	9	gradual	gradual	ADJ
bibechana-79223	56	10	increase	increase	NOUN
bibechana-79223	56	11	in	in	ADP
bibechana-79223	56	12	dos	do	NOUN
bibechana-79223	56	13	,	,	PUNCT
bibechana-79223	56	14	associated	associate	VERB
bibechana-79223	56	15	with	with	ADP
bibechana-79223	56	16	acoustic	acoustic	ADJ
bibechana-79223	56	17	phonons	phonon	NOUN
bibechana-79223	56	18	.	.	PUNCT
bibechana-79223	57	1	this	this	DET
bibechana-79223	57	2	distribution	distribution	NOUN
bibechana-79223	57	3	of	of	ADP
bibechana-79223	57	4	vibrational	vibrational	ADJ
bibechana-79223	57	5	states	state	NOUN
bibechana-79223	57	6	implies	imply	VERB
bibechana-79223	57	7	that	that	SCONJ
bibechana-79223	57	8	optical	optical	ADJ
bibechana-79223	57	9	phonons	phonon	NOUN
bibechana-79223	57	10	significantly	significantly	ADV
bibechana-79223	57	11	contribute	contribute	VERB
bibechana-79223	57	12	to	to	ADP
bibechana-79223	57	13	the	the	DET
bibechana-79223	57	14	vibrational	vibrational	ADJ
bibechana-79223	57	15	properties	property	NOUN
bibechana-79223	57	16	,	,	PUNCT
bibechana-79223	57	17	while	while	SCONJ
bibechana-79223	57	18	acoustic	acoustic	ADJ
bibechana-79223	57	19	phonons	phonon	NOUN
bibechana-79223	57	20	dominate	dominate	VERB
bibechana-79223	57	21	low	low	ADJ
bibechana-79223	57	22	-	-	PUNCT
bibechana-79223	57	23	temperature	temperature	NOUN
bibechana-79223	57	24	specific	specific	ADJ
bibechana-79223	57	25	heat	heat	NOUN
bibechana-79223	57	26	and	and	CCONJ
bibechana-79223	57	27	thermal	thermal	ADJ
bibechana-79223	57	28	conductivity	conductivity	NOUN
bibechana-79223	57	29	.	.	PUNCT
bibechana-79223	58	1	he	he	PRON
bibechana-79223	58	2	phonon	phonon	VERB
bibechana-79223	58	3	dos	do	NOUN
bibechana-79223	58	4	achieved	achieve	VERB
bibechana-79223	58	5	is	be	AUX
bibechana-79223	58	6	consistent	consistent	ADJ
bibechana-79223	58	7	with	with	ADP
bibechana-79223	58	8	the	the	DET
bibechana-79223	58	9	findings	finding	NOUN
bibechana-79223	58	10	of	of	ADP
bibechana-79223	58	11	a	a	DET
bibechana-79223	58	12	previous	previous	ADJ
bibechana-79223	58	13	study	study	NOUN
bibechana-79223	58	14	by	by	ADP
bibechana-79223	58	15	peter	peter	PROPN
bibechana-79223	58	16	et	et	PROPN
bibechana-79223	58	17	al	al	PROPN
bibechana-79223	58	18	.	.	PROPN
bibechana-79223	59	1	for	for	ADP
bibechana-79223	59	2	β	β	NOUN
bibechana-79223	59	3	-	-	NOUN
bibechana-79223	59	4	zncu	zncu	NOUN
bibechana-79223	59	5	[	[	X
bibechana-79223	59	6	7	7	NUM
bibechana-79223	59	7	]	]	PUNCT
bibechana-79223	59	8	.	.	PUNCT
bibechana-79223	60	1	figure	figure	NOUN
bibechana-79223	60	2	2	2	NUM
bibechana-79223	60	3	:	:	PUNCT
bibechana-79223	60	4	phonon	phonon	NOUN
bibechana-79223	60	5	band	band	NOUN
bibechana-79223	60	6	structures	structure	NOUN
bibechana-79223	60	7	and	and	CCONJ
bibechana-79223	60	8	phonon	phonon	VERB
bibechana-79223	60	9	dos	do	NOUN
bibechana-79223	60	10	of	of	ADP
bibechana-79223	60	11	zncu	zncu	PROPN
bibechana-79223	60	12	.	.	PUNCT
bibechana-79223	61	1	3.3	3.3	NUM
bibechana-79223	61	2	elastic	elastic	ADJ
bibechana-79223	61	3	properties	property	NOUN
bibechana-79223	61	4	the	the	DET
bibechana-79223	61	5	elastic	elastic	ADJ
bibechana-79223	61	6	constant	constant	ADJ
bibechana-79223	61	7	matrices	matrix	NOUN
bibechana-79223	61	8	(	(	PUNCT
bibechana-79223	61	9	cij	cij	PROPN
bibechana-79223	61	10	)	)	PUNCT
bibechana-79223	61	11	were	be	AUX
bibechana-79223	61	12	calculated	calculate	VERB
bibechana-79223	61	13	using	use	VERB
bibechana-79223	61	14	thermo_pw	thermo_pw	VERB
bibechana-79223	61	15	utility	utility	NOUN
bibechana-79223	61	16	of	of	ADP
bibechana-79223	61	17	quantum	quantum	ADJ
bibechana-79223	61	18	espresso	espresso	NOUN
bibechana-79223	61	19	.	.	PUNCT
bibechana-79223	62	1	three	three	NUM
bibechana-79223	62	2	independent	independent	ADJ
bibechana-79223	62	3	elastic	elastic	ADJ
bibechana-79223	62	4	constants	constant	NOUN
bibechana-79223	62	5	;	;	PUNCT
bibechana-79223	62	6	c11	c11	NOUN
bibechana-79223	62	7	,	,	PUNCT
bibechana-79223	62	8	c12	c12	PROPN
bibechana-79223	62	9	,	,	PUNCT
bibechana-79223	62	10	and	and	CCONJ
bibechana-79223	62	11	c44	c44	VERB
bibechana-79223	62	12	for	for	ADP
bibechana-79223	62	13	cubic	cubic	ADJ
bibechana-79223	62	14	structure	structure	NOUN
bibechana-79223	62	15	of	of	ADP
bibechana-79223	62	16	zncu	zncu	PROPN
bibechana-79223	62	17	were	be	AUX
bibechana-79223	62	18	obtained	obtain	VERB
bibechana-79223	62	19	.	.	PUNCT
bibechana-79223	63	1	these	these	DET
bibechana-79223	63	2	elastic	elastic	ADJ
bibechana-79223	63	3	constants	constant	NOUN
bibechana-79223	63	4	were	be	AUX
bibechana-79223	63	5	further	far	ADV
bibechana-79223	63	6	used	use	VERB
bibechana-79223	63	7	to	to	PART
bibechana-79223	63	8	calculate	calculate	VERB
bibechana-79223	63	9	the	the	DET
bibechana-79223	63	10	elastic	elastic	ADJ
bibechana-79223	63	11	property	property	NOUN
bibechana-79223	63	12	through	through	ADP
bibechana-79223	63	13	voigt	voigt	PROPN
bibechana-79223	63	14	–	–	PUNCT
bibechana-79223	63	15	reuss	reuss	PROPN
bibechana-79223	63	16	–	–	PUNCT
bibechana-79223	63	17	hill	hill	NOUN
bibechana-79223	63	18	(	(	PUNCT
bibechana-79223	63	19	vrh	vrh	PROPN
bibechana-79223	63	20	)	)	PUNCT
bibechana-79223	63	21	methods	method	NOUN
bibechana-79223	63	22	[	[	X
bibechana-79223	63	23	19–22	19–22	NUM
bibechana-79223	63	24	]	]	PUNCT
bibechana-79223	63	25	.	.	PUNCT
bibechana-79223	64	1	the	the	DET
bibechana-79223	64	2	relation	relation	NOUN
bibechana-79223	64	3	of	of	ADP
bibechana-79223	64	4	shear	shear	NOUN
bibechana-79223	64	5	modulus	modulus	NOUN
bibechana-79223	64	6	(	(	PUNCT
bibechana-79223	64	7	g	g	NOUN
bibechana-79223	64	8	)	)	PUNCT
bibechana-79223	64	9	and	and	CCONJ
bibechana-79223	64	10	bulk	bulk	ADJ
bibechana-79223	64	11	modulus	modulus	NOUN
bibechana-79223	64	12	(	(	PUNCT
bibechana-79223	64	13	b	b	NOUN
bibechana-79223	64	14	)	)	PUNCT
bibechana-79223	64	15	are	be	AUX
bibechana-79223	64	16	expressed	express	VERB
bibechana-79223	64	17	as	as	ADP
bibechana-79223	64	18	[	[	X
bibechana-79223	64	19	12,19,23	12,19,23	NUM
bibechana-79223	64	20	]	]	X
bibechana-79223	64	21	gv	gv	ADP
bibechana-79223	64	22	=	=	SYM
bibechana-79223	64	23	c11	c11	NOUN
bibechana-79223	64	24	−	−	PROPN
bibechana-79223	64	25	c12	c12	PROPN
bibechana-79223	64	26	+	+	CCONJ
bibechana-79223	64	27	3c44	3c44	NUM
bibechana-79223	64	28	5	5	NUM
bibechana-79223	64	29	(	(	PUNCT
bibechana-79223	64	30	2	2	NUM
bibechana-79223	64	31	)	)	PUNCT
bibechana-79223	64	32	gr	gr	NOUN
bibechana-79223	64	33	=	=	SYM
bibechana-79223	64	34	5c44(c11	5c44(c11	PROPN
bibechana-79223	64	35	+	+	CCONJ
bibechana-79223	64	36	c12	c12	PROPN
bibechana-79223	64	37	)	)	PUNCT
bibechana-79223	64	38	4c44	4c44	PROPN
bibechana-79223	65	1	+	+	CCONJ
bibechana-79223	65	2	3(c11	3(c11	NUM
bibechana-79223	65	3	−	−	NOUN
bibechana-79223	65	4	c12	c12	NOUN
bibechana-79223	65	5	)	)	PUNCT
bibechana-79223	65	6	(	(	PUNCT
bibechana-79223	65	7	3	3	X
bibechana-79223	65	8	)	)	PUNCT
bibechana-79223	65	9	g	g	NOUN
bibechana-79223	65	10	=	=	PUNCT
bibechana-79223	66	1	gv	gv	ADP
bibechana-79223	66	2	+	+	ADV
bibechana-79223	66	3	gr	gr	NOUN
bibechana-79223	66	4	2	2	NUM
bibechana-79223	66	5	(	(	PUNCT
bibechana-79223	66	6	4	4	NUM
bibechana-79223	66	7	)	)	PUNCT
bibechana-79223	66	8	bv	bv	NOUN
bibechana-79223	66	9	=	=	SYM
bibechana-79223	66	10	br	br	PROPN
bibechana-79223	66	11	=	=	PUNCT
bibechana-79223	66	12	c11	c11	NOUN
bibechana-79223	66	13	+	+	CCONJ
bibechana-79223	66	14	2c12	2c12	NOUN
bibechana-79223	66	15	3	3	NUM
bibechana-79223	66	16	(	(	PUNCT
bibechana-79223	66	17	5	5	NUM
bibechana-79223	66	18	)	)	PUNCT
bibechana-79223	66	19	b	b	NOUN
bibechana-79223	66	20	=	=	SYM
bibechana-79223	66	21	bv	bv	PROPN
bibechana-79223	67	1	+	+	PROPN
bibechana-79223	67	2	br	br	PROPN
bibechana-79223	67	3	2	2	NUM
bibechana-79223	67	4	(	(	PUNCT
bibechana-79223	67	5	6	6	NUM
bibechana-79223	67	6	)	)	PUNCT
bibechana-79223	67	7	similarly	similarly	ADV
bibechana-79223	67	8	,	,	PUNCT
bibechana-79223	67	9	young	young	ADJ
bibechana-79223	67	10	’s	’s	PART
bibechana-79223	67	11	modulus	modulus	NOUN
bibechana-79223	67	12	(	(	PUNCT
bibechana-79223	67	13	y	y	PROPN
bibechana-79223	67	14	)	)	PUNCT
bibechana-79223	67	15	,	,	PUNCT
bibechana-79223	67	16	poisson	poisson	PROPN
bibechana-79223	67	17	’s	’s	PART
bibechana-79223	67	18	ratio	ratio	NOUN
bibechana-79223	67	19	(	(	PUNCT
bibechana-79223	67	20	ν	ν	NOUN
bibechana-79223	67	21	)	)	PUNCT
bibechana-79223	67	22	,	,	PUNCT
bibechana-79223	67	23	and	and	CCONJ
bibechana-79223	67	24	universal	universal	ADJ
bibechana-79223	67	25	elastic	elastic	ADJ
bibechana-79223	67	26	anisotropy	anisotropy	NOUN
bibechana-79223	67	27	index	index	NOUN
bibechana-79223	67	28	(	(	PUNCT
bibechana-79223	67	29	au	au	X
bibechana-79223	67	30	)	)	PUNCT
bibechana-79223	67	31	can	can	AUX
bibechana-79223	67	32	be	be	AUX
bibechana-79223	67	33	calculated	calculate	VERB
bibechana-79223	67	34	using	use	VERB
bibechana-79223	67	35	the	the	DET
bibechana-79223	67	36	relations	relation	NOUN
bibechana-79223	67	37	as	as	ADP
bibechana-79223	67	38	[	[	X
bibechana-79223	67	39	19,20,23	19,20,23	NUM
bibechana-79223	67	40	]	]	X
bibechana-79223	67	41	y	y	PROPN
bibechana-79223	67	42	=	=	SYM
bibechana-79223	67	43	9bg	9bg	PROPN
bibechana-79223	68	1	3b	3b	NUM
bibechana-79223	69	1	+	+	NOUN
bibechana-79223	69	2	g	g	PROPN
bibechana-79223	69	3	(	(	PUNCT
bibechana-79223	69	4	7	7	NUM
bibechana-79223	69	5	)	)	PUNCT
bibechana-79223	69	6	ν	ν	NOUN
bibechana-79223	69	7	=	=	SYM
bibechana-79223	69	8	3b	3b	NOUN
bibechana-79223	69	9	−	−	NOUN
bibechana-79223	69	10	2	2	NUM
bibechana-79223	69	11	g	g	PROPN
bibechana-79223	69	12	2(3b	2(3b	NUM
bibechana-79223	69	13	+	+	NOUN
bibechana-79223	69	14	g	g	NOUN
bibechana-79223	69	15	)	)	PUNCT
bibechana-79223	69	16	(	(	PUNCT
bibechana-79223	69	17	8)	8)	NUM
bibechana-79223	69	18	au	au	X
bibechana-79223	69	19	=	=	SYM
bibechana-79223	69	20	5	5	NUM
bibechana-79223	69	21	(	(	PUNCT
bibechana-79223	69	22	gv	gv	ADP
bibechana-79223	69	23	gr	gr	PROPN
bibechana-79223	69	24	)	)	PUNCT
bibechana-79223	70	1	+	+	CCONJ
bibechana-79223	70	2	(	(	PUNCT
bibechana-79223	70	3	bv	bv	PROPN
bibechana-79223	70	4	br	br	PROPN
bibechana-79223	70	5	)	)	PUNCT
bibechana-79223	70	6	−	−	PROPN
bibechana-79223	70	7	6	6	NUM
bibechana-79223	70	8	(	(	PUNCT
bibechana-79223	70	9	9	9	NUM
bibechana-79223	70	10	)	)	PUNCT
bibechana-79223	70	11	table	table	NOUN
bibechana-79223	70	12	1	1	NUM
bibechana-79223	70	13	shows	show	VERB
bibechana-79223	70	14	the	the	DET
bibechana-79223	70	15	calculated	calculated	ADJ
bibechana-79223	70	16	values	value	NOUN
bibechana-79223	70	17	of	of	ADP
bibechana-79223	70	18	these	these	DET
bibechana-79223	70	19	elastic	elastic	ADJ
bibechana-79223	70	20	parameters	parameter	NOUN
bibechana-79223	70	21	.	.	PUNCT
bibechana-79223	71	1	born	bear	VERB
bibechana-79223	71	2	criteria	criterion	NOUN
bibechana-79223	71	3	for	for	ADP
bibechana-79223	71	4	mechanical	mechanical	ADJ
bibechana-79223	71	5	stability	stability	NOUN
bibechana-79223	71	6	of	of	ADP
bibechana-79223	71	7	the	the	DET
bibechana-79223	71	8	cubic	cubic	ADJ
bibechana-79223	71	9	system	system	NOUN
bibechana-79223	71	10	,	,	PUNCT
bibechana-79223	71	11	i.e.	i.e.	X
bibechana-79223	71	12	,	,	PUNCT
bibechana-79223	71	13	c11	c11	NOUN
bibechana-79223	71	14	>	>	X
bibechana-79223	71	15	0	0	PROPN
bibechana-79223	71	16	,	,	PUNCT
bibechana-79223	71	17	c44	c44	X
bibechana-79223	71	18	≥	≥	NOUN
bibechana-79223	71	19	0	0	NUM
bibechana-79223	71	20	,	,	PUNCT
bibechana-79223	71	21	c11	c11	NOUN
bibechana-79223	71	22	≥	≥	PROPN
bibechana-79223	71	23	|c12|	|c12|	PROPN
bibechana-79223	71	24	and	and	CCONJ
bibechana-79223	71	25	c11	c11	NOUN
bibechana-79223	71	26	+	+	CCONJ
bibechana-79223	71	27	2c12	2c12	NOUN
bibechana-79223	71	28	≥	≥	NOUN
bibechana-79223	71	29	0	0	NUM
bibechana-79223	71	30	are	be	AUX
bibechana-79223	71	31	satisfied	satisfied	ADJ
bibechana-79223	71	32	by	by	ADP
bibechana-79223	71	33	the	the	DET
bibechana-79223	71	34	calculated	calculate	VERB
bibechana-79223	71	35	value	value	NOUN
bibechana-79223	71	36	of	of	ADP
bibechana-79223	71	37	elastic	elastic	ADJ
bibechana-79223	71	38	constants	constant	NOUN
bibechana-79223	72	1	[	[	X
bibechana-79223	72	2	12,22,23	12,22,23	NUM
bibechana-79223	72	3	]	]	X
bibechana-79223	72	4	.	.	PUNCT
bibechana-79223	73	1	this	this	PRON
bibechana-79223	73	2	shows	show	VERB
bibechana-79223	73	3	that	that	SCONJ
bibechana-79223	73	4	zncu	zncu	PROPN
bibechana-79223	73	5	crystal	crystal	PROPN
bibechana-79223	73	6	is	be	AUX
bibechana-79223	73	7	mechanically	mechanically	ADV
bibechana-79223	73	8	stable	stable	ADJ
bibechana-79223	73	9	.	.	PUNCT
bibechana-79223	74	1	furthermore	furthermore	ADV
bibechana-79223	74	2	,	,	PUNCT
bibechana-79223	74	3	the	the	DET
bibechana-79223	74	4	value	value	NOUN
bibechana-79223	74	5	of	of	ADP
bibechana-79223	74	6	bulk	bulk	ADJ
bibechana-79223	74	7	modulus	modulus	NOUN
bibechana-79223	74	8	(	(	PUNCT
bibechana-79223	74	9	b0	b0	NOUN
bibechana-79223	74	10	)	)	PUNCT
bibechana-79223	74	11	calculated	calculate	VERB
bibechana-79223	74	12	using	use	VERB
bibechana-79223	74	13	murnaghan	murnaghan	ADJ
bibechana-79223	74	14	equation	equation	NOUN
bibechana-79223	74	15	of	of	ADP
bibechana-79223	74	16	state	state	NOUN
bibechana-79223	74	17	in	in	ADP
bibechana-79223	74	18	the	the	DET
bibechana-79223	74	19	section	section	NOUN
bibechana-79223	74	20	3.1	3.1	NUM
bibechana-79223	74	21	and	and	CCONJ
bibechana-79223	74	22	voigt	voigt	PROPN
bibechana-79223	74	23	-	-	PUNCT
bibechana-79223	74	24	reuss	reuss	PROPN
bibechana-79223	74	25	-	-	PUNCT
bibechana-79223	74	26	hill	hill	NOUN
bibechana-79223	74	27	methods	method	NOUN
bibechana-79223	74	28	using	use	VERB
bibechana-79223	74	29	equation	equation	NOUN
bibechana-79223	74	30	(	(	PUNCT
bibechana-79223	74	31	3.3	3.3	NUM
bibechana-79223	74	32	)	)	PUNCT
bibechana-79223	74	33	are	be	AUX
bibechana-79223	74	34	comparable	comparable	ADJ
bibechana-79223	74	35	with	with	ADP
bibechana-79223	74	36	the	the	DET
bibechana-79223	74	37	value	value	NOUN
bibechana-79223	74	38	predicted	predict	VERB
bibechana-79223	74	39	in	in	ADP
bibechana-79223	74	40	the	the	DET
bibechana-79223	74	41	material	material	NOUN
bibechana-79223	74	42	project	project	NOUN
bibechana-79223	74	43	database	database	NOUN
bibechana-79223	75	1	[	[	X
bibechana-79223	75	2	18	18	NUM
bibechana-79223	75	3	]	]	PUNCT
bibechana-79223	75	4	and	and	CCONJ
bibechana-79223	75	5	ref	ref	NOUN
bibechana-79223	75	6	.	.	PUNCT
bibechana-79223	76	1	shashit	shashit	PROPN
bibechana-79223	76	2	kumar	kumar	PROPN
bibechana-79223	76	3	yadav	yadav	PROPN
bibechana-79223	76	4	et	et	PROPN
bibechana-79223	76	5	al./	al./	ADV
bibechana-79223	76	6	bibechana	bibechana	PROPN
bibechana-79223	76	7	22	22	NUM
bibechana-79223	76	8	(	(	PUNCT
bibechana-79223	76	9	2025	2025	NUM
bibechana-79223	76	10	)	)	PUNCT
bibechana-79223	76	11	188	188	NUM
bibechana-79223	76	12	-	-	SYM
bibechana-79223	76	13	195	195	NUM
bibechana-79223	76	14	191	191	NUM
bibechana-79223	77	1	[	[	X
bibechana-79223	77	2	4	4	NUM
bibechana-79223	77	3	]	]	PUNCT
bibechana-79223	77	4	.	.	PUNCT
bibechana-79223	78	1	the	the	DET
bibechana-79223	78	2	small	small	ADJ
bibechana-79223	78	3	discrepancy	discrepancy	NOUN
bibechana-79223	78	4	in	in	ADP
bibechana-79223	78	5	the	the	DET
bibechana-79223	78	6	calculated	calculated	ADJ
bibechana-79223	78	7	values	value	NOUN
bibechana-79223	78	8	of	of	ADP
bibechana-79223	78	9	elastic	elastic	ADJ
bibechana-79223	78	10	parameters	parameter	NOUN
bibechana-79223	78	11	with	with	ADP
bibechana-79223	78	12	material	material	NOUN
bibechana-79223	78	13	project	project	NOUN
bibechana-79223	78	14	database	database	NOUN
bibechana-79223	78	15	may	may	AUX
bibechana-79223	78	16	be	be	AUX
bibechana-79223	78	17	due	due	ADJ
bibechana-79223	78	18	to	to	ADP
bibechana-79223	78	19	the	the	DET
bibechana-79223	78	20	use	use	NOUN
bibechana-79223	78	21	of	of	ADP
bibechana-79223	78	22	different	different	ADJ
bibechana-79223	78	23	pseudopotentials	pseudopotential	NOUN
bibechana-79223	78	24	.	.	PUNCT
bibechana-79223	79	1	we	we	PRON
bibechana-79223	79	2	have	have	AUX
bibechana-79223	79	3	used	use	VERB
bibechana-79223	79	4	pbe	pbe	ADJ
bibechana-79223	79	5	type	type	NOUN
bibechana-79223	79	6	pseudopotential	pseudopotential	NOUN
bibechana-79223	79	7	whereas	whereas	SCONJ
bibechana-79223	79	8	the	the	DET
bibechana-79223	79	9	later	later	ADV
bibechana-79223	79	10	,	,	PUNCT
bibechana-79223	79	11	ref	ref	NOUN
bibechana-79223	79	12	.	.	PUNCT
bibechana-79223	80	1	[	[	X
bibechana-79223	80	2	18	18	NUM
bibechana-79223	80	3	]	]	PUNCT
bibechana-79223	80	4	,	,	PUNCT
bibechana-79223	80	5	have	have	AUX
bibechana-79223	80	6	used	use	VERB
bibechana-79223	80	7	pbesol	pbesol	ADJ
bibechana-79223	80	8	type	type	NOUN
bibechana-79223	80	9	pseudopotential	pseudopotential	ADJ
bibechana-79223	80	10	.	.	PUNCT
bibechana-79223	81	1	table	table	NOUN
bibechana-79223	81	2	1	1	NUM
bibechana-79223	81	3	:	:	PUNCT
bibechana-79223	81	4	calculated	calculate	VERB
bibechana-79223	81	5	values	value	NOUN
bibechana-79223	81	6	of	of	ADP
bibechana-79223	81	7	elastic	elastic	ADJ
bibechana-79223	81	8	parameters	parameter	NOUN
bibechana-79223	81	9	for	for	ADP
bibechana-79223	81	10	zncu	zncu	PROPN
bibechana-79223	81	11	complex	complex	ADJ
bibechana-79223	81	12	parameter	parameter	NOUN
bibechana-79223	81	13	this	this	DET
bibechana-79223	81	14	work	work	NOUN
bibechana-79223	81	15	material	material	NOUN
bibechana-79223	81	16	project	project	NOUN
bibechana-79223	81	17	[	[	X
bibechana-79223	81	18	18	18	NUM
bibechana-79223	81	19	]	]	PUNCT
bibechana-79223	81	20	other	other	ADJ
bibechana-79223	81	21	[	[	X
bibechana-79223	81	22	4	4	NUM
bibechana-79223	81	23	]	]	X
bibechana-79223	81	24	c11	c11	NOUN
bibechana-79223	81	25	(	(	PUNCT
bibechana-79223	81	26	gpa	gpa	PROPN
bibechana-79223	81	27	)	)	PUNCT
bibechana-79223	81	28	152.692	152.692	NUM
bibechana-79223	81	29	134.8	134.8	NUM
bibechana-79223	81	30	–	–	PUNCT
bibechana-79223	81	31	c12	c12	PROPN
bibechana-79223	81	32	(	(	PUNCT
bibechana-79223	81	33	gpa	gpa	PROPN
bibechana-79223	81	34	)	)	PUNCT
bibechana-79223	81	35	102.697	102.697	NUM
bibechana-79223	81	36	104.7	104.7	NUM
bibechana-79223	81	37	–	–	PUNCT
bibechana-79223	81	38	c44	c44	NOUN
bibechana-79223	81	39	(	(	PUNCT
bibechana-79223	81	40	gpa	gpa	PROPN
bibechana-79223	81	41	)	)	PUNCT
bibechana-79223	81	42	96.992	96.992	NUM
bibechana-79223	81	43	75.4	75.4	NUM
bibechana-79223	81	44	–	–	PUNCT
bibechana-79223	81	45	b	b	PROPN
bibechana-79223	81	46	(	(	PUNCT
bibechana-79223	81	47	gpa	gpa	PROPN
bibechana-79223	81	48	)	)	PUNCT
bibechana-79223	81	49	119.362	119.362	NUM
bibechana-79223	81	50	116	116	NUM
bibechana-79223	81	51	117.4	117.4	NUM
bibechana-79223	81	52	g	g	NOUN
bibechana-79223	81	53	(	(	PUNCT
bibechana-79223	81	54	gpa	gpa	PROPN
bibechana-79223	81	55	)	)	PUNCT
bibechana-79223	81	56	56.632	56.632	NUM
bibechana-79223	81	57	46	46	NUM
bibechana-79223	81	58	40.1	40.1	NUM
bibechana-79223	81	59	y	y	PROPN
bibechana-79223	81	60	(	(	PUNCT
bibechana-79223	81	61	gpa	gpa	PROPN
bibechana-79223	81	62	)	)	PUNCT
bibechana-79223	81	63	145.975	145.975	NUM
bibechana-79223	81	64	107.7	107.7	NUM
bibechana-79223	81	65	–	–	PUNCT
bibechana-79223	81	66	ν	ν	X
bibechana-79223	81	67	0.295	0.295	NUM
bibechana-79223	81	68	0.33	0.33	NUM
bibechana-79223	81	69	0.34	0.34	NUM
bibechana-79223	81	70	au	au	PROPN
bibechana-79223	81	71	2.565	2.565	NUM
bibechana-79223	81	72	3.57	3.57	NUM
bibechana-79223	81	73	3.87	3.87	NUM
bibechana-79223	81	74	figure	figure	NOUN
bibechana-79223	81	75	3	3	NUM
bibechana-79223	81	76	:	:	PUNCT
bibechana-79223	81	77	spatial	spatial	ADJ
bibechana-79223	81	78	dependence	dependence	NOUN
bibechana-79223	81	79	and	and	CCONJ
bibechana-79223	81	80	3d	3d	NUM
bibechana-79223	81	81	visualization	visualization	NOUN
bibechana-79223	81	82	of	of	ADP
bibechana-79223	81	83	young	young	ADJ
bibechana-79223	81	84	’s	’s	PART
bibechana-79223	81	85	modulus	modulus	NOUN
bibechana-79223	81	86	(	(	PUNCT
bibechana-79223	81	87	y	y	PROPN
bibechana-79223	81	88	)	)	PUNCT
bibechana-79223	81	89	,	,	PUNCT
bibechana-79223	81	90	linear	linear	ADJ
bibechana-79223	81	91	compressibility	compressibility	NOUN
bibechana-79223	81	92	(	(	PUNCT
bibechana-79223	81	93	β	β	NOUN
bibechana-79223	81	94	)	)	PUNCT
bibechana-79223	81	95	,	,	PUNCT
bibechana-79223	81	96	shear	shear	NOUN
bibechana-79223	81	97	modulus	modulus	NOUN
bibechana-79223	81	98	(	(	PUNCT
bibechana-79223	81	99	g	g	NOUN
bibechana-79223	81	100	)	)	PUNCT
bibechana-79223	81	101	and	and	CCONJ
bibechana-79223	81	102	poisson	poisson	PROPN
bibechana-79223	81	103	’s	’s	PART
bibechana-79223	81	104	ratio	ratio	NOUN
bibechana-79223	81	105	(	(	PUNCT
bibechana-79223	81	106	ν	ν	NOUN
bibechana-79223	81	107	)	)	PUNCT
bibechana-79223	81	108	of	of	ADP
bibechana-79223	81	109	zncu	zncu	PROPN
bibechana-79223	81	110	.	.	PUNCT
bibechana-79223	82	1	shashit	shashit	PROPN
bibechana-79223	82	2	kumar	kumar	PROPN
bibechana-79223	82	3	yadav	yadav	PROPN
bibechana-79223	82	4	et	et	PROPN
bibechana-79223	82	5	al./	al./	ADV
bibechana-79223	82	6	bibechana	bibechana	PROPN
bibechana-79223	82	7	22	22	NUM
bibechana-79223	82	8	(	(	PUNCT
bibechana-79223	82	9	2025	2025	NUM
bibechana-79223	82	10	)	)	PUNCT
bibechana-79223	82	11	188	188	NUM
bibechana-79223	82	12	-	-	SYM
bibechana-79223	82	13	195	195	NUM
bibechana-79223	82	14	192	192	NUM
bibechana-79223	82	15	the	the	DET
bibechana-79223	82	16	bulk	bulk	ADJ
bibechana-79223	82	17	modulus	modulus	NOUN
bibechana-79223	82	18	(	(	PUNCT
bibechana-79223	82	19	b	b	NOUN
bibechana-79223	82	20	)	)	PUNCT
bibechana-79223	82	21	characterizes	characterize	VERB
bibechana-79223	82	22	the	the	DET
bibechana-79223	82	23	material	material	NOUN
bibechana-79223	82	24	’s	’s	PART
bibechana-79223	82	25	resistance	resistance	NOUN
bibechana-79223	82	26	to	to	ADP
bibechana-79223	82	27	uniform	uniform	ADJ
bibechana-79223	82	28	compression	compression	NOUN
bibechana-79223	82	29	and	and	CCONJ
bibechana-79223	82	30	is	be	AUX
bibechana-79223	82	31	intrinsically	intrinsically	ADV
bibechana-79223	82	32	linked	link	VERB
bibechana-79223	82	33	to	to	ADP
bibechana-79223	82	34	its	its	PRON
bibechana-79223	82	35	crystal	crystal	NOUN
bibechana-79223	82	36	structure	structure	NOUN
bibechana-79223	82	37	,	,	PUNCT
bibechana-79223	82	38	including	include	VERB
bibechana-79223	82	39	the	the	DET
bibechana-79223	82	40	nature	nature	NOUN
bibechana-79223	82	41	and	and	CCONJ
bibechana-79223	82	42	length	length	NOUN
bibechana-79223	82	43	of	of	ADP
bibechana-79223	82	44	chemical	chemical	NOUN
bibechana-79223	82	45	bonds	bond	NOUN
bibechana-79223	82	46	.	.	PUNCT
bibechana-79223	83	1	the	the	DET
bibechana-79223	83	2	shear	shear	NOUN
bibechana-79223	83	3	modulus	modulus	NOUN
bibechana-79223	83	4	(	(	PUNCT
bibechana-79223	83	5	g	g	NOUN
bibechana-79223	83	6	)	)	PUNCT
bibechana-79223	83	7	,	,	PUNCT
bibechana-79223	83	8	or	or	CCONJ
bibechana-79223	83	9	modulus	modulus	NOUN
bibechana-79223	83	10	of	of	ADP
bibechana-79223	83	11	rigidity	rigidity	NOUN
bibechana-79223	83	12	,	,	PUNCT
bibechana-79223	83	13	quantifies	quantify	VERB
bibechana-79223	83	14	the	the	DET
bibechana-79223	83	15	material	material	NOUN
bibechana-79223	83	16	’s	’s	PART
bibechana-79223	83	17	response	response	NOUN
bibechana-79223	83	18	to	to	ADP
bibechana-79223	83	19	shear	shear	NOUN
bibechana-79223	83	20	stress	stress	NOUN
bibechana-79223	83	21	,	,	PUNCT
bibechana-79223	83	22	reflecting	reflect	VERB
bibechana-79223	83	23	its	its	PRON
bibechana-79223	83	24	ability	ability	NOUN
bibechana-79223	83	25	to	to	PART
bibechana-79223	83	26	resist	resist	VERB
bibechana-79223	83	27	deformation	deformation	NOUN
bibechana-79223	83	28	caused	cause	VERB
bibechana-79223	83	29	by	by	ADP
bibechana-79223	83	30	tangential	tangential	ADJ
bibechana-79223	83	31	forces	force	NOUN
bibechana-79223	83	32	that	that	PRON
bibechana-79223	83	33	induce	induce	VERB
bibechana-79223	83	34	relative	relative	ADJ
bibechana-79223	83	35	motion	motion	NOUN
bibechana-79223	83	36	between	between	ADP
bibechana-79223	83	37	adjacent	adjacent	ADJ
bibechana-79223	83	38	atomic	atomic	ADJ
bibechana-79223	83	39	layers	layer	NOUN
bibechana-79223	83	40	.	.	PUNCT
bibechana-79223	84	1	young	young	ADJ
bibechana-79223	84	2	’s	’s	PART
bibechana-79223	84	3	modulus	modulus	NOUN
bibechana-79223	84	4	(	(	PUNCT
bibechana-79223	84	5	y	y	PROPN
bibechana-79223	84	6	)	)	PUNCT
bibechana-79223	84	7	represents	represent	VERB
bibechana-79223	84	8	the	the	DET
bibechana-79223	84	9	stiffness	stiffness	NOUN
bibechana-79223	84	10	of	of	ADP
bibechana-79223	84	11	the	the	DET
bibechana-79223	84	12	material	material	NOUN
bibechana-79223	84	13	under	under	ADP
bibechana-79223	84	14	uniaxial	uniaxial	ADJ
bibechana-79223	84	15	tensile	tensile	NOUN
bibechana-79223	84	16	stress	stress	NOUN
bibechana-79223	84	17	and	and	CCONJ
bibechana-79223	84	18	provides	provide	VERB
bibechana-79223	84	19	a	a	DET
bibechana-79223	84	20	comprehensive	comprehensive	ADJ
bibechana-79223	84	21	measure	measure	NOUN
bibechana-79223	84	22	of	of	ADP
bibechana-79223	84	23	its	its	PRON
bibechana-79223	84	24	elastic	elastic	ADJ
bibechana-79223	84	25	rigidity	rigidity	NOUN
bibechana-79223	85	1	[	[	X
bibechana-79223	85	2	16	16	NUM
bibechana-79223	85	3	,	,	PUNCT
bibechana-79223	85	4	24	24	NUM
bibechana-79223	85	5	,	,	PUNCT
bibechana-79223	85	6	25	25	NUM
bibechana-79223	85	7	]	]	PUNCT
bibechana-79223	85	8	.	.	PUNCT
bibechana-79223	86	1	its	its	PRON
bibechana-79223	86	2	higher	high	ADJ
bibechana-79223	86	3	values	value	NOUN
bibechana-79223	86	4	indicate	indicate	VERB
bibechana-79223	86	5	greater	great	ADJ
bibechana-79223	86	6	resistance	resistance	NOUN
bibechana-79223	86	7	to	to	ADP
bibechana-79223	86	8	deformation	deformation	NOUN
bibechana-79223	86	9	.	.	PUNCT
bibechana-79223	87	1	the	the	DET
bibechana-79223	87	2	calculated	calculate	VERB
bibechana-79223	87	3	value	value	NOUN
bibechana-79223	87	4	of	of	ADP
bibechana-79223	87	5	y	y	PROPN
bibechana-79223	87	6	=	=	PROPN
bibechana-79223	87	7	145.975	145.975	NUM
bibechana-79223	87	8	gpa	gpa	PROPN
bibechana-79223	87	9	,	,	PUNCT
bibechana-79223	87	10	indicating	indicate	VERB
bibechana-79223	87	11	moderately	moderately	ADV
bibechana-79223	87	12	high	high	ADJ
bibechana-79223	87	13	stiffness	stiffness	NOUN
bibechana-79223	87	14	,	,	PUNCT
bibechana-79223	87	15	consistent	consistent	ADJ
bibechana-79223	87	16	with	with	ADP
bibechana-79223	87	17	metallic	metallic	ADJ
bibechana-79223	87	18	bonding	bonding	NOUN
bibechana-79223	87	19	.	.	PUNCT
bibechana-79223	88	1	additional	additional	ADJ
bibechana-79223	88	2	mechanical	mechanical	ADJ
bibechana-79223	88	3	parameters	parameter	NOUN
bibechana-79223	88	4	derived	derive	VERB
bibechana-79223	88	5	from	from	ADP
bibechana-79223	88	6	the	the	DET
bibechana-79223	88	7	elastic	elastic	ADJ
bibechana-79223	88	8	moduli	modulus	NOUN
bibechana-79223	88	9	,	,	PUNCT
bibechana-79223	88	10	namely	namely	ADV
bibechana-79223	88	11	pugh	pugh	PROPN
bibechana-79223	88	12	’s	’s	PART
bibechana-79223	88	13	ratio	ratio	NOUN
bibechana-79223	88	14	(	(	PUNCT
bibechana-79223	88	15	k	k	NOUN
bibechana-79223	88	16	=	=	SYM
bibechana-79223	88	17	b	b	PROPN
bibechana-79223	88	18	/	/	SYM
bibechana-79223	88	19	g	g	NOUN
bibechana-79223	88	20	)	)	PUNCT
bibechana-79223	88	21	,	,	PUNCT
bibechana-79223	88	22	poisson	poisson	PROPN
bibechana-79223	88	23	’s	’s	PART
bibechana-79223	88	24	ratio	ratio	NOUN
bibechana-79223	88	25	(	(	PUNCT
bibechana-79223	88	26	ν	ν	NOUN
bibechana-79223	88	27	)	)	PUNCT
bibechana-79223	88	28	,	,	PUNCT
bibechana-79223	88	29	and	and	CCONJ
bibechana-79223	88	30	the	the	DET
bibechana-79223	88	31	universal	universal	ADJ
bibechana-79223	88	32	anisotropy	anisotropy	NOUN
bibechana-79223	88	33	index	index	NOUN
bibechana-79223	88	34	(	(	PUNCT
bibechana-79223	88	35	au	au	X
bibechana-79223	88	36	)	)	PUNCT
bibechana-79223	88	37	offer	offer	VERB
bibechana-79223	88	38	valuable	valuable	ADJ
bibechana-79223	88	39	insight	insight	NOUN
bibechana-79223	88	40	into	into	ADP
bibechana-79223	88	41	the	the	DET
bibechana-79223	88	42	bonding	bonding	NOUN
bibechana-79223	88	43	characteristics	characteristic	NOUN
bibechana-79223	88	44	,	,	PUNCT
bibechana-79223	88	45	mechanical	mechanical	ADJ
bibechana-79223	88	46	behavior	behavior	NOUN
bibechana-79223	88	47	,	,	PUNCT
bibechana-79223	88	48	and	and	CCONJ
bibechana-79223	88	49	elastic	elastic	ADJ
bibechana-79223	88	50	anisotropy	anisotropy	NOUN
bibechana-79223	88	51	of	of	ADP
bibechana-79223	88	52	crystalline	crystalline	NOUN
bibechana-79223	88	53	materials	material	NOUN
bibechana-79223	88	54	[	[	X
bibechana-79223	88	55	26	26	NUM
bibechana-79223	88	56	]	]	PUNCT
bibechana-79223	88	57	.	.	PUNCT
bibechana-79223	89	1	according	accord	VERB
bibechana-79223	89	2	to	to	ADP
bibechana-79223	89	3	pugh	pugh	PROPN
bibechana-79223	89	4	’s	’s	PART
bibechana-79223	89	5	criterion	criterion	NOUN
bibechana-79223	89	6	,	,	PUNCT
bibechana-79223	89	7	materials	material	NOUN
bibechana-79223	89	8	with	with	ADP
bibechana-79223	89	9	k	k	PROPN
bibechana-79223	89	10	>	>	X
bibechana-79223	89	11	1.75a	1.75a	NUM
bibechana-79223	89	12	re	re	AUX
bibechana-79223	89	13	typically	typically	ADV
bibechana-79223	89	14	classified	classify	VERB
bibechana-79223	89	15	as	as	ADP
bibechana-79223	89	16	brittle	brittle	ADJ
bibechana-79223	89	17	,	,	PUNCT
bibechana-79223	89	18	while	while	SCONJ
bibechana-79223	89	19	those	those	PRON
bibechana-79223	89	20	with	with	ADP
bibechana-79223	89	21	k	k	PROPN
bibechana-79223	89	22	>	>	X
bibechana-79223	89	23	1.75	1.75	NUM
bibechana-79223	89	24	are	be	AUX
bibechana-79223	89	25	considered	consider	VERB
bibechana-79223	89	26	ductile	ductile	ADJ
bibechana-79223	89	27	[	[	NOUN
bibechana-79223	89	28	19	19	NUM
bibechana-79223	89	29	]	]	PUNCT
bibechana-79223	89	30	.	.	PUNCT
bibechana-79223	90	1	the	the	DET
bibechana-79223	90	2	calculated	calculate	VERB
bibechana-79223	90	3	value	value	NOUN
bibechana-79223	90	4	of	of	ADP
bibechana-79223	90	5	k	k	PROPN
bibechana-79223	90	6	=	=	SYM
bibechana-79223	90	7	2.11	2.11	NUM
bibechana-79223	90	8	,	,	PUNCT
bibechana-79223	90	9	indicating	indicate	VERB
bibechana-79223	90	10	the	the	DET
bibechana-79223	90	11	material	material	NOUN
bibechana-79223	90	12	to	to	PART
bibechana-79223	90	13	be	be	AUX
bibechana-79223	90	14	ductile	ductile	NOUN
bibechana-79223	90	15	.	.	PUNCT
bibechana-79223	91	1	the	the	DET
bibechana-79223	91	2	calculated	calculate	VERB
bibechana-79223	91	3	value	value	NOUN
bibechana-79223	91	4	of	of	ADP
bibechana-79223	91	5	ν	ν	NOUN
bibechana-79223	91	6	=	=	SYM
bibechana-79223	91	7	0.295	0.295	NUM
bibechana-79223	91	8	corresponding	correspond	VERB
bibechana-79223	91	9	that	that	SCONJ
bibechana-79223	91	10	the	the	DET
bibechana-79223	91	11	material	material	NOUN
bibechana-79223	91	12	exhibits	exhibit	VERB
bibechana-79223	91	13	metallic	metallic	ADJ
bibechana-79223	91	14	ductility	ductility	NOUN
bibechana-79223	91	15	,	,	PUNCT
bibechana-79223	91	16	as	as	SCONJ
bibechana-79223	91	17	predicted	predict	VERB
bibechana-79223	91	18	by	by	ADP
bibechana-79223	91	19	k.	k.	PROPN
bibechana-79223	91	20	furthermore	furthermore	PROPN
bibechana-79223	91	21	,	,	PUNCT
bibechana-79223	91	22	a	a	DET
bibechana-79223	91	23	universal	universal	ADJ
bibechana-79223	91	24	anisotropy	anisotropy	NOUN
bibechana-79223	91	25	index	index	NOUN
bibechana-79223	91	26	of	of	ADP
bibechana-79223	91	27	au	au	X
bibechana-79223	91	28	=	=	SYM
bibechana-79223	91	29	1	1	NUM
bibechana-79223	91	30	denotes	denote	VERB
bibechana-79223	91	31	a	a	DET
bibechana-79223	91	32	mechanically	mechanically	ADV
bibechana-79223	91	33	isotropic	isotropic	ADJ
bibechana-79223	91	34	material	material	NOUN
bibechana-79223	91	35	,	,	PUNCT
bibechana-79223	91	36	whereas	whereas	SCONJ
bibechana-79223	91	37	any	any	DET
bibechana-79223	91	38	deviation	deviation	NOUN
bibechana-79223	91	39	from	from	ADP
bibechana-79223	91	40	this	this	DET
bibechana-79223	91	41	value	value	NOUN
bibechana-79223	91	42	indicates	indicate	VERB
bibechana-79223	91	43	the	the	DET
bibechana-79223	91	44	presence	presence	NOUN
bibechana-79223	91	45	of	of	ADP
bibechana-79223	91	46	elastic	elastic	ADJ
bibechana-79223	91	47	anisotropy	anisotropy	NOUN
bibechana-79223	91	48	[	[	NOUN
bibechana-79223	91	49	19	19	NUM
bibechana-79223	91	50	]	]	PUNCT
bibechana-79223	91	51	.	.	PUNCT
bibechana-79223	92	1	the	the	DET
bibechana-79223	92	2	obtained	obtain	VERB
bibechana-79223	92	3	value	value	NOUN
bibechana-79223	92	4	of	of	ADP
bibechana-79223	92	5	au	au	X
bibechana-79223	92	6	=	=	VERB
bibechana-79223	92	7	2.565	2.565	NUM
bibechana-79223	92	8	corresponding	correspond	VERB
bibechana-79223	92	9	that	that	SCONJ
bibechana-79223	92	10	te	te	ADP
bibechana-79223	92	11	material	material	NOUN
bibechana-79223	92	12	to	to	PART
bibechana-79223	92	13	be	be	AUX
bibechana-79223	92	14	significantly	significantly	ADV
bibechana-79223	92	15	anisotropic	anisotropic	NOUN
bibechana-79223	92	16	,	,	PUNCT
bibechana-79223	92	17	which	which	PRON
bibechana-79223	92	18	may	may	AUX
bibechana-79223	92	19	affects	affect	VERB
bibechana-79223	92	20	its	its	PRON
bibechana-79223	92	21	mechanical	mechanical	ADJ
bibechana-79223	92	22	behaviour	behaviour	NOUN
bibechana-79223	92	23	under	under	ADP
bibechana-79223	92	24	directional	directional	ADJ
bibechana-79223	92	25	stress	stress	NOUN
bibechana-79223	92	26	.	.	PUNCT
bibechana-79223	93	1	the	the	DET
bibechana-79223	93	2	directiona	directiona	PROPN
bibechana-79223	93	3	dependence	dependence	NOUN
bibechana-79223	93	4	of	of	ADP
bibechana-79223	93	5	the	the	DET
bibechana-79223	93	6	elastic	elastic	ADJ
bibechana-79223	93	7	properties	property	NOUN
bibechana-79223	93	8	was	be	AUX
bibechana-79223	93	9	also	also	ADV
bibechana-79223	93	10	analyzed	analyze	VERB
bibechana-79223	93	11	using	use	VERB
bibechana-79223	93	12	the	the	DET
bibechana-79223	93	13	elate	elate	ADJ
bibechana-79223	93	14	software	software	NOUN
bibechana-79223	93	15	[	[	X
bibechana-79223	93	16	27	27	NUM
bibechana-79223	93	17	]	]	PUNCT
bibechana-79223	93	18	,	,	PUNCT
bibechana-79223	93	19	which	which	PRON
bibechana-79223	93	20	processes	process	VERB
bibechana-79223	93	21	the	the	DET
bibechana-79223	93	22	second	second	ADJ
bibechana-79223	93	23	-	-	PUNCT
bibechana-79223	93	24	order	order	NOUN
bibechana-79223	93	25	elastic	elastic	ADJ
bibechana-79223	93	26	constants	constant	NOUN
bibechana-79223	93	27	(	(	PUNCT
bibechana-79223	93	28	cij	cij	PROPN
bibechana-79223	93	29	)	)	PUNCT
bibechana-79223	93	30	in	in	ADP
bibechana-79223	93	31	voigt	voigt	PROPN
bibechana-79223	93	32	notation	notation	PROPN
bibechana-79223	93	33	.	.	PUNCT
bibechana-79223	94	1	based	base	VERB
bibechana-79223	94	2	on	on	ADP
bibechana-79223	94	3	the	the	DET
bibechana-79223	94	4	calculated	calculated	ADJ
bibechana-79223	94	5	values	value	NOUN
bibechana-79223	94	6	of	of	ADP
bibechana-79223	94	7	c11	c11	NOUN
bibechana-79223	94	8	,	,	PUNCT
bibechana-79223	94	9	c12	c12	PROPN
bibechana-79223	94	10	and	and	CCONJ
bibechana-79223	94	11	c44	c44	NOUN
bibechana-79223	94	12	,	,	PUNCT
bibechana-79223	94	13	table	table	NOUN
bibechana-79223	94	14	1	1	NUM
bibechana-79223	94	15	.	.	PUNCT
bibechana-79223	95	1	the	the	DET
bibechana-79223	95	2	software	software	NOUN
bibechana-79223	95	3	then	then	ADV
bibechana-79223	95	4	generated	generate	VERB
bibechana-79223	95	5	2d	2d	NOUN
bibechana-79223	95	6	and	and	CCONJ
bibechana-79223	95	7	3d	3d	NUM
bibechana-79223	95	8	plots	plot	NOUN
bibechana-79223	95	9	of	of	ADP
bibechana-79223	95	10	mechanical	mechanical	ADJ
bibechana-79223	95	11	properties	property	NOUN
bibechana-79223	95	12	,	,	PUNCT
bibechana-79223	95	13	including	include	VERB
bibechana-79223	95	14	young	young	PROPN
bibechana-79223	95	15	’s	’s	PART
bibechana-79223	95	16	modulus	modulus	NOUN
bibechana-79223	95	17	(	(	PUNCT
bibechana-79223	95	18	y	y	PROPN
bibechana-79223	95	19	)	)	PUNCT
bibechana-79223	95	20	,	,	PUNCT
bibechana-79223	95	21	linear	linear	ADJ
bibechana-79223	95	22	compressibility	compressibility	NOUN
bibechana-79223	95	23	β	β	NOUN
bibechana-79223	95	24	,	,	PUNCT
bibechana-79223	95	25	shear	shear	ADJ
bibechana-79223	95	26	modulus	modulus	NOUN
bibechana-79223	95	27	(	(	PUNCT
bibechana-79223	95	28	g	g	NOUN
bibechana-79223	95	29	)	)	PUNCT
bibechana-79223	95	30	and	and	CCONJ
bibechana-79223	95	31	poisson	poisson	PROPN
bibechana-79223	95	32	’s	’s	PART
bibechana-79223	95	33	ratio	ratio	NOUN
bibechana-79223	95	34	(	(	PUNCT
bibechana-79223	95	35	ν	ν	NOUN
bibechana-79223	95	36	)	)	PUNCT
bibechana-79223	95	37	.	.	PUNCT
bibechana-79223	96	1	the	the	DET
bibechana-79223	96	2	obtained	obtain	VERB
bibechana-79223	96	3	results	result	NOUN
bibechana-79223	96	4	are	be	AUX
bibechana-79223	96	5	summarized	summarize	VERB
bibechana-79223	96	6	in	in	ADP
bibechana-79223	96	7	table	table	NOUN
bibechana-79223	96	8	2	2	NUM
bibechana-79223	96	9	,	,	PUNCT
bibechana-79223	96	10	and	and	CCONJ
bibechana-79223	96	11	their	their	PRON
bibechana-79223	96	12	2d	2d	NOUN
bibechana-79223	96	13	and	and	CCONJ
bibechana-79223	96	14	3d	3d	NUM
bibechana-79223	96	15	plots	plot	NOUN
bibechana-79223	96	16	are	be	AUX
bibechana-79223	96	17	visualized	visualize	VERB
bibechana-79223	96	18	in	in	ADP
bibechana-79223	96	19	figure	figure	NOUN
bibechana-79223	96	20	3	3	NUM
bibechana-79223	96	21	.	.	PUNCT
bibechana-79223	97	1	the	the	DET
bibechana-79223	97	2	uniform	uniform	ADJ
bibechana-79223	97	3	shapes	shape	NOUN
bibechana-79223	97	4	of	of	ADP
bibechana-79223	97	5	the	the	DET
bibechana-79223	97	6	respective	respective	ADJ
bibechana-79223	97	7	plots	plot	NOUN
bibechana-79223	97	8	indicate	indicate	VERB
bibechana-79223	97	9	isotropy	isotropy	NOUN
bibechana-79223	97	10	,	,	PUNCT
bibechana-79223	97	11	while	while	SCONJ
bibechana-79223	97	12	deviations	deviation	NOUN
bibechana-79223	97	13	reflect	reflect	VERB
bibechana-79223	97	14	elastic	elastic	ADJ
bibechana-79223	97	15	nisotropy	nisotropy	NOUN
bibechana-79223	97	16	.	.	PUNCT
bibechana-79223	98	1	the	the	DET
bibechana-79223	98	2	software	software	NOUN
bibechana-79223	98	3	utilizes	utilize	VERB
bibechana-79223	98	4	distinct	distinct	ADJ
bibechana-79223	98	5	color	color	NOUN
bibechana-79223	98	6	schemes	scheme	NOUN
bibechana-79223	98	7	to	to	PART
bibechana-79223	98	8	represent	represent	VERB
bibechana-79223	98	9	elastic	elastic	ADJ
bibechana-79223	98	10	properties	property	NOUN
bibechana-79223	98	11	in	in	ADP
bibechana-79223	98	12	2d	2d	NUM
bibechana-79223	98	13	and	and	CCONJ
bibechana-79223	98	14	3d	3d	NUM
bibechana-79223	98	15	visualizations	visualization	NOUN
bibechana-79223	98	16	[	[	X
bibechana-79223	98	17	27	27	NUM
bibechana-79223	98	18	]	]	PUNCT
bibechana-79223	98	19	.	.	PUNCT
bibechana-79223	99	1	for	for	ADP
bibechana-79223	99	2	y	y	PROPN
bibechana-79223	99	3	and	and	CCONJ
bibechana-79223	99	4	β	β	PROPN
bibechana-79223	99	5	,	,	PUNCT
bibechana-79223	99	6	green	green	PROPN
bibechana-79223	99	7	indicates	indicate	VERB
bibechana-79223	99	8	positive	positive	ADJ
bibechana-79223	99	9	values	value	NOUN
bibechana-79223	99	10	and	and	CCONJ
bibechana-79223	99	11	red	red	ADJ
bibechana-79223	99	12	denotes	denote	NOUN
bibechana-79223	99	13	negative	negative	ADJ
bibechana-79223	99	14	values	value	NOUN
bibechana-79223	99	15	.	.	PUNCT
bibechana-79223	100	1	in	in	ADP
bibechana-79223	100	2	the	the	DET
bibechana-79223	100	3	case	case	NOUN
bibechana-79223	100	4	of	of	ADP
bibechana-79223	100	5	g	g	PROPN
bibechana-79223	100	6	and	and	CCONJ
bibechana-79223	100	7	ν	ν	PROPN
bibechana-79223	100	8	,	,	PUNCT
bibechana-79223	100	9	up	up	ADP
bibechana-79223	100	10	to	to	PART
bibechana-79223	100	11	three	three	NUM
bibechana-79223	100	12	colors	color	NOUN
bibechana-79223	100	13	are	be	AUX
bibechana-79223	100	14	employed	employ	VERB
bibechana-79223	100	15	:	:	PUNCT
bibechana-79223	100	16	solid	solid	ADJ
bibechana-79223	100	17	green	green	ADJ
bibechana-79223	100	18	and	and	CCONJ
bibechana-79223	100	19	translucent	translucent	ADJ
bibechana-79223	100	20	blue	blue	NOUN
bibechana-79223	100	21	for	for	ADP
bibechana-79223	100	22	positive	positive	ADJ
bibechana-79223	100	23	values	value	NOUN
bibechana-79223	100	24	,	,	PUNCT
bibechana-79223	100	25	and	and	CCONJ
bibechana-79223	100	26	translucent	translucent	ADJ
bibechana-79223	100	27	red	red	NOUN
bibechana-79223	100	28	for	for	ADP
bibechana-79223	100	29	negative	negative	ADJ
bibechana-79223	100	30	values	value	NOUN
bibechana-79223	100	31	,	,	PUNCT
bibechana-79223	100	32	particularly	particularly	ADV
bibechana-79223	100	33	relevant	relevant	ADJ
bibechana-79223	100	34	for	for	ADP
bibechana-79223	100	35	poisson	poisson	NOUN
bibechana-79223	100	36	’s	’s	PART
bibechana-79223	100	37	ratio	ratio	NOUN
bibechana-79223	100	38	,	,	PUNCT
bibechana-79223	100	39	which	which	PRON
bibechana-79223	100	40	may	may	AUX
bibechana-79223	100	41	become	become	VERB
bibechana-79223	100	42	negative	negative	ADJ
bibechana-79223	100	43	in	in	ADP
bibechana-79223	100	44	specific	specific	ADJ
bibechana-79223	100	45	crystallographic	crystallographic	ADJ
bibechana-79223	100	46	directions	direction	NOUN
bibechana-79223	100	47	.	.	PUNCT
bibechana-79223	101	1	it	it	PRON
bibechana-79223	101	2	can	can	AUX
bibechana-79223	101	3	be	be	AUX
bibechana-79223	101	4	observed	observe	VERB
bibechana-79223	101	5	that	that	SCONJ
bibechana-79223	101	6	the	the	DET
bibechana-79223	101	7	spatial	spatial	ADJ
bibechana-79223	101	8	dependence	dependence	NOUN
bibechana-79223	101	9	of	of	ADP
bibechana-79223	101	10	y	y	PROPN
bibechana-79223	101	11	,	,	PUNCT
bibechana-79223	101	12	β	β	PROPN
bibechana-79223	101	13	and	and	CCONJ
bibechana-79223	101	14	g	g	PROPN
bibechana-79223	101	15	are	be	AUX
bibechana-79223	101	16	found	find	VERB
bibechana-79223	101	17	to	to	PART
bibechana-79223	101	18	be	be	AUX
bibechana-79223	101	19	positive	positive	ADJ
bibechana-79223	101	20	for	for	ADP
bibechana-79223	101	21	the	the	DET
bibechana-79223	101	22	material	material	NOUN
bibechana-79223	101	23	with	with	ADP
bibechana-79223	101	24	finite	finite	ADJ
bibechana-79223	101	25	and	and	CCONJ
bibechana-79223	101	26	non	non	ADJ
bibechana-79223	101	27	-	-	ADJ
bibechana-79223	101	28	negative	negative	ADJ
bibechana-79223	101	29	values	value	NOUN
bibechana-79223	101	30	of	of	ADP
bibechana-79223	101	31	respective	respective	ADJ
bibechana-79223	101	32	anisotropy	anisotropy	NOUN
bibechana-79223	101	33	.	.	PUNCT
bibechana-79223	102	1	figure	figure	NOUN
bibechana-79223	102	2	3	3	NUM
bibechana-79223	102	3	.	.	PUNCT
bibechana-79223	103	1	but	but	CCONJ
bibechana-79223	103	2	the	the	DET
bibechana-79223	103	3	value	value	NOUN
bibechana-79223	103	4	of	of	ADP
bibechana-79223	103	5	ν	ν	NOUN
bibechana-79223	103	6	is	be	AUX
bibechana-79223	103	7	found	find	VERB
bibechana-79223	103	8	to	to	PART
bibechana-79223	103	9	be	be	AUX
bibechana-79223	103	10	negative	negative	ADJ
bibechana-79223	103	11	(	(	PUNCT
bibechana-79223	103	12	there	there	PRON
bibechana-79223	103	13	is	be	VERB
bibechana-79223	103	14	presence	presence	NOUN
bibechana-79223	103	15	of	of	ADP
bibechana-79223	103	16	red	red	ADJ
bibechana-79223	103	17	colour	colour	NOUN
bibechana-79223	103	18	)	)	PUNCT
bibechana-79223	103	19	with	with	ADP
bibechana-79223	103	20	infinite	infinite	ADJ
bibechana-79223	103	21	value	value	NOUN
bibechana-79223	103	22	of	of	ADP
bibechana-79223	103	23	anisotropy	anisotropy	NOUN
bibechana-79223	103	24	indicating	indicate	VERB
bibechana-79223	103	25	its	its	PRON
bibechana-79223	103	26	directional	directional	ADJ
bibechana-79223	103	27	dependence	dependence	NOUN
bibechana-79223	103	28	.	.	PUNCT
bibechana-79223	104	1	table	table	NOUN
bibechana-79223	104	2	2	2	NUM
bibechana-79223	104	3	:	:	PUNCT
bibechana-79223	104	4	variations	variation	NOUN
bibechana-79223	104	5	of	of	ADP
bibechana-79223	104	6	young	young	ADJ
bibechana-79223	104	7	’s	’s	PART
bibechana-79223	104	8	modulus	modulus	NOUN
bibechana-79223	104	9	(	(	PUNCT
bibechana-79223	104	10	y	y	PROPN
bibechana-79223	104	11	)	)	PUNCT
bibechana-79223	104	12	,	,	PUNCT
bibechana-79223	105	1	linear	linear	ADJ
bibechana-79223	105	2	compressibility	compressibility	NOUN
bibechana-79223	105	3	(	(	PUNCT
bibechana-79223	105	4	β	β	NOUN
bibechana-79223	105	5	)	)	PUNCT
bibechana-79223	105	6	,	,	PUNCT
bibechana-79223	105	7	shear	shear	NOUN
bibechana-79223	105	8	modulus	modulus	NOUN
bibechana-79223	105	9	(	(	PUNCT
bibechana-79223	105	10	g	g	NOUN
bibechana-79223	105	11	)	)	PUNCT
bibechana-79223	105	12	,	,	PUNCT
bibechana-79223	105	13	and	and	CCONJ
bibechana-79223	105	14	poisson	poisson	PROPN
bibechana-79223	105	15	’s	’s	PART
bibechana-79223	105	16	ratio	ratio	NOUN
bibechana-79223	105	17	(	(	PUNCT
bibechana-79223	105	18	ν	ν	NOUN
bibechana-79223	105	19	)	)	PUNCT
bibechana-79223	105	20	,	,	PUNCT
bibechana-79223	105	21	along	along	ADP
bibechana-79223	105	22	with	with	ADP
bibechana-79223	105	23	their	their	PRON
bibechana-79223	105	24	corresponding	correspond	VERB
bibechana-79223	105	25	anisotropy	anisotropy	NOUN
bibechana-79223	105	26	ratios	ratio	NOUN
bibechana-79223	105	27	for	for	ADP
bibechana-79223	105	28	zncu	zncu	PROPN
bibechana-79223	105	29	parameter	parameter	PROPN
bibechana-79223	105	30	y	y	PROPN
bibechana-79223	105	31	(	(	PUNCT
bibechana-79223	105	32	gpa	gpa	PROPN
bibechana-79223	105	33	)	)	PUNCT
bibechana-79223	105	34	β	β	X
bibechana-79223	105	35	(	(	PUNCT
bibechana-79223	105	36	tpa−1	tpa−1	PROPN
bibechana-79223	105	37	)	)	PUNCT
bibechana-79223	105	38	g	g	PROPN
bibechana-79223	105	39	(	(	PUNCT
bibechana-79223	105	40	gpa	gpa	PROPN
bibechana-79223	105	41	)	)	PUNCT
bibechana-79223	105	42	ν	ν	PROPN
bibechana-79223	105	43	min	min	PROPN
bibechana-79223	105	44	max	max	PROPN
bibechana-79223	105	45	min	min	PROPN
bibechana-79223	105	46	max	max	PROPN
bibechana-79223	105	47	min	min	PROPN
bibechana-79223	105	48	max	max	PROPN
bibechana-79223	105	49	min	min	PROPN
bibechana-79223	105	50	max	max	PROPN
bibechana-79223	105	51	value	value	PROPN
bibechana-79223	105	52	70.009	70.009	NUM
bibechana-79223	105	53	228.960	228.960	NUM
bibechana-79223	105	54	2.7926	2.7926	NUM
bibechana-79223	105	55	2.7926	2.7926	NUM
bibechana-79223	105	56	24.998	24.998	NUM
bibechana-79223	105	57	96.992	96.992	NUM
bibechana-79223	105	58	-0.24656	-0.24656	NOUN
bibechana-79223	105	59	0.83841	0.83841	NUM
bibechana-79223	105	60	anisotropy	anisotropy	VERB
bibechana-79223	105	61	3.266	3.266	NUM
bibechana-79223	105	62	1.000	1.000	NUM
bibechana-79223	105	63	3.880	3.880	NUM
bibechana-79223	105	64	∞	∞	NUM
bibechana-79223	105	65	3.4	3.4	NUM
bibechana-79223	105	66	electronic	electronic	ADJ
bibechana-79223	105	67	properties	property	NOUN
bibechana-79223	105	68	the	the	DET
bibechana-79223	105	69	electronic	electronic	ADJ
bibechana-79223	105	70	properties	property	NOUN
bibechana-79223	105	71	of	of	ADP
bibechana-79223	105	72	the	the	DET
bibechana-79223	105	73	material	material	NOUN
bibechana-79223	105	74	were	be	AUX
bibechana-79223	105	75	investigated	investigate	VERB
bibechana-79223	105	76	using	use	VERB
bibechana-79223	105	77	dft	dft	NOUN
bibechana-79223	105	78	within	within	ADP
bibechana-79223	105	79	the	the	DET
bibechana-79223	105	80	pbe	pbe	ADJ
bibechana-79223	105	81	scalar	scalar	ADJ
bibechana-79223	105	82	relativistic	relativistic	ADJ
bibechana-79223	105	83	approximation	approximation	NOUN
bibechana-79223	105	84	.	.	PUNCT
bibechana-79223	106	1	the	the	DET
bibechana-79223	106	2	calculated	calculated	ADJ
bibechana-79223	106	3	electronic	electronic	ADJ
bibechana-79223	106	4	band	band	NOUN
bibechana-79223	106	5	structures	structure	NOUN
bibechana-79223	106	6	,	,	PUNCT
bibechana-79223	106	7	density	density	NOUN
bibechana-79223	106	8	of	of	ADP
bibechana-79223	106	9	states	state	NOUN
bibechana-79223	106	10	(	(	PUNCT
bibechana-79223	106	11	dos	dos	PROPN
bibechana-79223	106	12	)	)	PUNCT
bibechana-79223	106	13	,	,	PUNCT
bibechana-79223	106	14	and	and	CCONJ
bibechana-79223	106	15	partial	partial	ADJ
bibechana-79223	106	16	density	density	NOUN
bibechana-79223	106	17	of	of	ADP
bibechana-79223	106	18	states	state	NOUN
bibechana-79223	106	19	(	(	PUNCT
bibechana-79223	106	20	pdos	pdo	NOUN
bibechana-79223	106	21	)	)	PUNCT
bibechana-79223	106	22	are	be	AUX
bibechana-79223	106	23	presented	present	VERB
bibechana-79223	106	24	in	in	ADP
bibechana-79223	106	25	figure	figure	NOUN
bibechana-79223	106	26	4(a	4(a	NUM
bibechana-79223	106	27	,	,	PUNCT
bibechana-79223	106	28	b	b	NOUN
bibechana-79223	106	29	)	)	PUNCT
bibechana-79223	106	30	.	.	PUNCT
bibechana-79223	107	1	the	the	DET
bibechana-79223	107	2	band	band	NOUN
bibechana-79223	107	3	structures	structure	NOUN
bibechana-79223	107	4	of	of	ADP
bibechana-79223	107	5	te	te	PROPN
bibechana-79223	107	6	material	material	NOUN
bibechana-79223	107	7	shows	show	VERB
bibechana-79223	107	8	multiple	multiple	ADJ
bibechana-79223	107	9	bands	band	NOUN
bibechana-79223	107	10	crossing	cross	VERB
bibechana-79223	107	11	the	the	DET
bibechana-79223	107	12	fermi	fermi	NOUN
bibechana-79223	107	13	level	level	NOUN
bibechana-79223	107	14	(	(	PUNCT
bibechana-79223	107	15	ef	ef	PROPN
bibechana-79223	107	16	)	)	PUNCT
bibechana-79223	107	17	,	,	PUNCT
bibechana-79223	107	18	consistent	consistent	ADJ
bibechana-79223	107	19	with	with	ADP
bibechana-79223	107	20	its	its	PRON
bibechana-79223	107	21	metallic	metallic	ADJ
bibechana-79223	107	22	character	character	NOUN
bibechana-79223	107	23	,	,	PUNCT
bibechana-79223	107	24	as	as	SCONJ
bibechana-79223	107	25	shown	show	VERB
bibechana-79223	107	26	in	in	ADP
bibechana-79223	107	27	figure	figure	NOUN
bibechana-79223	107	28	4(a	4(a	NUM
bibechana-79223	107	29	)	)	PUNCT
bibechana-79223	107	30	.	.	PUNCT
bibechana-79223	108	1	notably	notably	ADV
bibechana-79223	108	2	,	,	PUNCT
bibechana-79223	108	3	several	several	ADJ
bibechana-79223	108	4	highly	highly	ADV
bibechana-79223	108	5	dispersive	dispersive	ADJ
bibechana-79223	108	6	bands	band	NOUN
bibechana-79223	108	7	are	be	AUX
bibechana-79223	108	8	observed	observe	VERB
bibechana-79223	108	9	near	near	ADP
bibechana-79223	108	10	ef	ef	PROPN
bibechana-79223	108	11	along	along	ADP
bibechana-79223	108	12	the	the	DET
bibechana-79223	108	13	γ	γ	PROPN
bibechana-79223	108	14	-	-	PUNCT
bibechana-79223	108	15	x	x	NOUN
bibechana-79223	108	16	,	,	PUNCT
bibechana-79223	108	17	r	r	NOUN
bibechana-79223	108	18	-	-	PUNCT
bibechana-79223	108	19	x	x	NOUN
bibechana-79223	108	20	,	,	PUNCT
bibechana-79223	108	21	and	and	CCONJ
bibechana-79223	108	22	m	m	PROPN
bibechana-79223	108	23	–	–	PUNCT
bibechana-79223	108	24	γ	γ	NOUN
bibechana-79223	108	25	directions	direction	NOUN
bibechana-79223	108	26	,	,	PUNCT
bibechana-79223	108	27	indicating	indicate	VERB
bibechana-79223	108	28	the	the	DET
bibechana-79223	108	29	presence	presence	NOUN
bibechana-79223	108	30	of	of	ADP
bibechana-79223	108	31	high	high	ADJ
bibechana-79223	108	32	carrier	carrier	NOUN
bibechana-79223	108	33	mobility	mobility	NOUN
bibechana-79223	108	34	in	in	ADP
bibechana-79223	108	35	these	these	DET
bibechana-79223	108	36	directions	direction	NOUN
bibechana-79223	108	37	.	.	PUNCT
bibechana-79223	109	1	in	in	ADP
bibechana-79223	109	2	contrast	contrast	NOUN
bibechana-79223	109	3	,	,	PUNCT
bibechana-79223	109	4	the	the	DET
bibechana-79223	109	5	presence	presence	NOUN
bibechana-79223	109	6	of	of	ADP
bibechana-79223	109	7	relatively	relatively	ADV
bibechana-79223	109	8	flat	flat	ADJ
bibechana-79223	109	9	bands	band	NOUN
bibechana-79223	109	10	around	around	ADP
bibechana-79223	109	11	−3	−3	PROPN
bibechana-79223	109	12	ev	ev	X
bibechana-79223	109	13	to	to	ADP
bibechana-79223	109	14	−2	−2	PROPN
bibechana-79223	109	15	ev	ev	PROPN
bibechana-79223	109	16	corresponds	correspond	NOUN
bibechana-79223	109	17	to	to	ADP
bibechana-79223	109	18	localized	localized	ADJ
bibechana-79223	109	19	cu	cu	PROPN
bibechana-79223	109	20	-	-	PUNCT
bibechana-79223	109	21	d	d	PROPN
bibechana-79223	109	22	states	state	NOUN
bibechana-79223	109	23	,	,	PUNCT
bibechana-79223	109	24	as	as	SCONJ
bibechana-79223	109	25	supported	support	VERB
bibechana-79223	109	26	by	by	ADP
bibechana-79223	109	27	the	the	DET
bibechana-79223	109	28	pdos	pdo	NOUN
bibechana-79223	109	29	in	in	ADP
bibechana-79223	109	30	figure	figure	NOUN
bibechana-79223	109	31	4(b	4(b	NUM
bibechana-79223	109	32	)	)	PUNCT
bibechana-79223	109	33	.	.	PUNCT
bibechana-79223	110	1	the	the	DET
bibechana-79223	110	2	absence	absence	NOUN
bibechana-79223	110	3	of	of	ADP
bibechana-79223	110	4	a	a	DET
bibechana-79223	110	5	band	band	NOUN
bibechana-79223	110	6	gap	gap	NOUN
bibechana-79223	110	7	and	and	CCONJ
bibechana-79223	110	8	the	the	DET
bibechana-79223	110	9	significant	significant	ADJ
bibechana-79223	110	10	overlap	overlap	NOUN
bibechana-79223	110	11	of	of	ADP
bibechana-79223	110	12	conduction	conduction	NOUN
bibechana-79223	110	13	and	and	CCONJ
bibechana-79223	110	14	valence	valence	NOUN
bibechana-79223	110	15	bands	band	NOUN
bibechana-79223	110	16	near	near	ADP
bibechana-79223	110	17	ef	ef	PROPN
bibechana-79223	110	18	suggest	suggest	VERB
bibechana-79223	110	19	that	that	SCONJ
bibechana-79223	110	20	zncu	zncu	PROPN
bibechana-79223	110	21	can	can	AUX
bibechana-79223	110	22	exhibit	exhibit	VERB
bibechana-79223	110	23	good	good	ADJ
bibechana-79223	110	24	electrical	electrical	ADJ
bibechana-79223	110	25	conductivity	conductivity	NOUN
bibechana-79223	110	26	.	.	PUNCT
bibechana-79223	111	1	the	the	DET
bibechana-79223	111	2	availability	availability	NOUN
bibechana-79223	111	3	of	of	ADP
bibechana-79223	111	4	partially	partially	ADV
bibechana-79223	111	5	filled	fill	VERB
bibechana-79223	111	6	conduction	conduction	NOUN
bibechana-79223	111	7	states	state	NOUN
bibechana-79223	111	8	also	also	ADV
bibechana-79223	111	9	implies	imply	VERB
bibechana-79223	111	10	the	the	DET
bibechana-79223	111	11	possibility	possibility	NOUN
bibechana-79223	111	12	of	of	ADP
bibechana-79223	111	13	tuning	tune	VERB
bibechana-79223	111	14	thermoelectric	thermoelectric	ADJ
bibechana-79223	111	15	performance	performance	NOUN
bibechana-79223	111	16	through	through	ADP
bibechana-79223	111	17	appropriate	appropriate	ADJ
bibechana-79223	111	18	doping	doping	NOUN
bibechana-79223	111	19	or	or	CCONJ
bibechana-79223	111	20	carrier	carrier	NOUN
bibechana-79223	111	21	concentration	concentration	NOUN
bibechana-79223	111	22	adjustment	adjustment	NOUN
bibechana-79223	111	23	.	.	PUNCT
bibechana-79223	112	1	the	the	DET
bibechana-79223	112	2	pdos	pdo	NOUN
bibechana-79223	112	3	plot	plot	NOUN
bibechana-79223	112	4	reveals	reveal	VERB
bibechana-79223	112	5	that	that	SCONJ
bibechana-79223	112	6	the	the	DET
bibechana-79223	112	7	cu-3d	cu-3d	PROPN
bibechana-79223	112	8	orbitals	orbital	NOUN
bibechana-79223	112	9	dominate	dominate	VERB
bibechana-79223	112	10	the	the	DET
bibechana-79223	112	11	valence	valence	NOUN
bibechana-79223	112	12	region	region	NOUN
bibechana-79223	112	13	,	,	PUNCT
bibechana-79223	112	14	particularly	particularly	ADV
bibechana-79223	112	15	within	within	ADP
bibechana-79223	112	16	the	the	DET
bibechana-79223	112	17	energy	energy	NOUN
bibechana-79223	112	18	range	range	NOUN
bibechana-79223	112	19	from	from	ADP
bibechana-79223	112	20	approximately	approximately	ADV
bibechana-79223	112	21	−4	−4	X
bibechana-79223	112	22	ev	ev	INTJ
bibechana-79223	112	23	to	to	ADP
bibechana-79223	112	24	−2	−2	PROPN
bibechana-79223	112	25	ev	ev	PROPN
bibechana-79223	112	26	,	,	PUNCT
bibechana-79223	112	27	shashit	shashit	VERB
bibechana-79223	112	28	kumar	kumar	PROPN
bibechana-79223	112	29	yadav	yadav	PROPN
bibechana-79223	112	30	et	et	PROPN
bibechana-79223	112	31	al./	al./	ADV
bibechana-79223	112	32	bibechana	bibechana	PROPN
bibechana-79223	112	33	22	22	NUM
bibechana-79223	112	34	(	(	PUNCT
bibechana-79223	112	35	2025	2025	NUM
bibechana-79223	112	36	)	)	PUNCT
bibechana-79223	112	37	188	188	NUM
bibechana-79223	112	38	-	-	SYM
bibechana-79223	112	39	195	195	NUM
bibechana-79223	112	40	193	193	NUM
bibechana-79223	112	41	as	as	SCONJ
bibechana-79223	112	42	shown	show	VERB
bibechana-79223	112	43	in	in	ADP
bibechana-79223	112	44	figure	figure	NOUN
bibechana-79223	112	45	4(b	4(b	NUM
bibechana-79223	112	46	)	)	PUNCT
bibechana-79223	112	47	.	.	PUNCT
bibechana-79223	113	1	the	the	DET
bibechana-79223	113	2	zn-3d	zn-3d	PROPN
bibechana-79223	113	3	states	state	NOUN
bibechana-79223	113	4	contribute	contribute	VERB
bibechana-79223	113	5	mainly	mainly	ADV
bibechana-79223	113	6	at	at	ADP
bibechana-79223	113	7	deeper	deep	ADJ
bibechana-79223	113	8	energies	energy	NOUN
bibechana-79223	113	9	(	(	PUNCT
bibechana-79223	113	10	−6	−6	X
bibechana-79223	113	11	ev	ev	X
bibechana-79223	113	12	to	to	ADP
bibechana-79223	113	13	−3	−3	PROPN
bibechana-79223	113	14	ev	ev	PROPN
bibechana-79223	113	15	)	)	PUNCT
bibechana-79223	113	16	,	,	PUNCT
bibechana-79223	113	17	whereas	whereas	SCONJ
bibechana-79223	113	18	the	the	DET
bibechana-79223	113	19	s	s	X
bibechana-79223	113	20	and	and	CCONJ
bibechana-79223	113	21	p	p	NOUN
bibechana-79223	113	22	orbitals	orbital	NOUN
bibechana-79223	113	23	of	of	ADP
bibechana-79223	113	24	both	both	DET
bibechana-79223	113	25	zn	zn	PROPN
bibechana-79223	113	26	and	and	CCONJ
bibechana-79223	113	27	cu	cu	PROPN
bibechana-79223	113	28	exhibit	exhibit	VERB
bibechana-79223	113	29	relatively	relatively	ADV
bibechana-79223	113	30	minor	minor	ADJ
bibechana-79223	113	31	contributions	contribution	NOUN
bibechana-79223	113	32	.	.	PUNCT
bibechana-79223	114	1	the	the	DET
bibechana-79223	114	2	non	non	ADJ
bibechana-79223	114	3	-	-	ADJ
bibechana-79223	114	4	zero	zero	NUM
bibechana-79223	114	5	density	density	NOUN
bibechana-79223	114	6	of	of	ADP
bibechana-79223	114	7	states	state	NOUN
bibechana-79223	114	8	at	at	ADP
bibechana-79223	114	9	the	the	DET
bibechana-79223	114	10	fermi	fermi	NOUN
bibechana-79223	114	11	level	level	NOUN
bibechana-79223	114	12	confirms	confirm	VERB
bibechana-79223	114	13	the	the	DET
bibechana-79223	114	14	metallic	metallic	ADJ
bibechana-79223	114	15	nature	nature	NOUN
bibechana-79223	114	16	of	of	ADP
bibechana-79223	114	17	zncu	zncu	PROPN
bibechana-79223	114	18	,	,	PUNCT
bibechana-79223	114	19	which	which	PRON
bibechana-79223	114	20	further	far	ADV
bibechana-79223	114	21	supports	support	VERB
bibechana-79223	114	22	the	the	DET
bibechana-79223	114	23	results	result	NOUN
bibechana-79223	114	24	of	of	ADP
bibechana-79223	114	25	band	band	NOUN
bibechana-79223	114	26	structures	structure	NOUN
bibechana-79223	114	27	.	.	PUNCT
bibechana-79223	115	1	figure	figure	VERB
bibechana-79223	115	2	4	4	NUM
bibechana-79223	115	3	:	:	PUNCT
bibechana-79223	115	4	electronic	electronic	ADJ
bibechana-79223	115	5	band	band	NOUN
bibechana-79223	115	6	structures	structure	NOUN
bibechana-79223	115	7	,	,	PUNCT
bibechana-79223	115	8	density	density	NOUN
bibechana-79223	115	9	of	of	ADP
bibechana-79223	115	10	states	state	NOUN
bibechana-79223	115	11	and	and	CCONJ
bibechana-79223	115	12	partial	partial	ADJ
bibechana-79223	115	13	density	density	NOUN
bibechana-79223	115	14	of	of	ADP
bibechana-79223	115	15	states	state	NOUN
bibechana-79223	115	16	(	(	PUNCT
bibechana-79223	115	17	pdos	pdo	NOUN
bibechana-79223	115	18	)	)	PUNCT
bibechana-79223	115	19	of	of	ADP
bibechana-79223	115	20	zncu	zncu	PROPN
bibechana-79223	115	21	.	.	PUNCT
bibechana-79223	116	1	3.5	3.5	NUM
bibechana-79223	116	2	thermoelectric	thermoelectric	ADJ
bibechana-79223	116	3	properties	property	NOUN
bibechana-79223	116	4	the	the	DET
bibechana-79223	116	5	thermoelectric	thermoelectric	ADJ
bibechana-79223	116	6	properties	property	NOUN
bibechana-79223	116	7	of	of	ADP
bibechana-79223	116	8	the	the	DET
bibechana-79223	116	9	zncu	zncu	PROPN
bibechana-79223	116	10	were	be	AUX
bibechana-79223	116	11	investigated	investigate	VERB
bibechana-79223	116	12	using	use	VERB
bibechana-79223	116	13	boltzmann	boltzmann	PROPN
bibechana-79223	116	14	transport	transport	NOUN
bibechana-79223	116	15	equation	equation	NOUN
bibechana-79223	116	16	implemented	implement	VERB
bibechana-79223	116	17	in	in	ADP
bibechana-79223	116	18	boltztrap2	boltztrap2	ADJ
bibechana-79223	116	19	codes	code	NOUN
bibechana-79223	116	20	[	[	X
bibechana-79223	116	21	12	12	NUM
bibechana-79223	116	22	,	,	PUNCT
bibechana-79223	116	23	14	14	NUM
bibechana-79223	116	24	]	]	PUNCT
bibechana-79223	116	25	.	.	PUNCT
bibechana-79223	117	1	the	the	DET
bibechana-79223	117	2	calculations	calculation	NOUN
bibechana-79223	117	3	were	be	AUX
bibechana-79223	117	4	basically	basically	ADV
bibechana-79223	117	5	focusing	focus	VERB
bibechana-79223	117	6	on	on	ADP
bibechana-79223	117	7	the	the	DET
bibechana-79223	117	8	seebeck	seebeck	NOUN
bibechana-79223	117	9	coefficient	coefficient	NOUN
bibechana-79223	117	10	(	(	PUNCT
bibechana-79223	117	11	s	s	NOUN
bibechana-79223	117	12	)	)	PUNCT
bibechana-79223	117	13	,	,	PUNCT
bibechana-79223	117	14	electrical	electrical	ADJ
bibechana-79223	117	15	conductivity	conductivity	NOUN
bibechana-79223	117	16	(	(	PUNCT
bibechana-79223	117	17	σ	σ	NOUN
bibechana-79223	117	18	/	/	SYM
bibechana-79223	117	19	τ0	τ0	NOUN
bibechana-79223	117	20	)	)	PUNCT
bibechana-79223	117	21	,	,	PUNCT
bibechana-79223	117	22	thermal	thermal	ADJ
bibechana-79223	117	23	conductivity	conductivity	NOUN
bibechana-79223	117	24	(	(	PUNCT
bibechana-79223	117	25	ke	ke	NOUN
bibechana-79223	117	26	/	/	SYM
bibechana-79223	117	27	τ0	τ0	NOUN
bibechana-79223	117	28	)	)	PUNCT
bibechana-79223	117	29	,	,	PUNCT
bibechana-79223	117	30	and	and	CCONJ
bibechana-79223	117	31	power	power	NOUN
bibechana-79223	117	32	factor	factor	NOUN
bibechana-79223	117	33	(	(	PUNCT
bibechana-79223	117	34	pf	pf	NOUN
bibechana-79223	117	35	=	=	SYM
bibechana-79223	117	36	s2σ	s2σ	X
bibechana-79223	117	37	/	/	SYM
bibechana-79223	117	38	τ	τ	PROPN
bibechana-79223	117	39	)	)	PUNCT
bibechana-79223	117	40	.	.	PUNCT
bibechana-79223	118	1	the	the	DET
bibechana-79223	118	2	calculated	calculate	VERB
bibechana-79223	118	3	values	value	NOUN
bibechana-79223	118	4	of	of	ADP
bibechana-79223	118	5	these	these	DET
bibechana-79223	118	6	parameters	parameter	NOUN
bibechana-79223	118	7	are	be	AUX
bibechana-79223	118	8	plotted	plot	VERB
bibechana-79223	118	9	as	as	ADP
bibechana-79223	118	10	a	a	DET
bibechana-79223	118	11	function	function	NOUN
bibechana-79223	118	12	of	of	ADP
bibechana-79223	118	13	temperature	temperature	NOUN
bibechana-79223	118	14	in	in	ADP
bibechana-79223	118	15	figure	figure	NOUN
bibechana-79223	118	16	5	5	NUM
bibechana-79223	118	17	.	.	PUNCT
bibechana-79223	119	1	the	the	DET
bibechana-79223	119	2	seebeck	seebeck	PROPN
bibechana-79223	119	3	coefficient	coefficient	NOUN
bibechana-79223	119	4	exhibits	exhibit	VERB
bibechana-79223	119	5	a	a	DET
bibechana-79223	119	6	nonlinear	nonlinear	ADJ
bibechana-79223	119	7	trend	trend	NOUN
bibechana-79223	119	8	,	,	PUNCT
bibechana-79223	119	9	starts	start	VERB
bibechana-79223	119	10	slightly	slightly	ADV
bibechana-79223	119	11	positive	positive	ADJ
bibechana-79223	119	12	from	from	ADP
bibechana-79223	119	13	about	about	ADP
bibechana-79223	119	14	200	200	NUM
bibechana-79223	119	15	k	k	NOUN
bibechana-79223	119	16	and	and	CCONJ
bibechana-79223	119	17	becomes	become	VERB
bibechana-79223	119	18	strongly	strongly	ADV
bibechana-79223	119	19	negative	negative	ADJ
bibechana-79223	119	20	around	around	ADV
bibechana-79223	119	21	/	/	SYM
bibechana-79223	119	22	at	at	ADP
bibechana-79223	119	23	300	300	NUM
bibechana-79223	119	24	k.	k.	NOUN
bibechana-79223	119	25	with	with	ADP
bibechana-79223	119	26	further	further	ADJ
bibechana-79223	119	27	increase	increase	NOUN
bibechana-79223	119	28	in	in	ADP
bibechana-79223	119	29	the	the	DET
bibechana-79223	119	30	temperature	temperature	NOUN
bibechana-79223	119	31	of	of	ADP
bibechana-79223	119	32	the	the	DET
bibechana-79223	119	33	sample	sample	NOUN
bibechana-79223	119	34	,	,	PUNCT
bibechana-79223	119	35	plot	plot	NOUN
bibechana-79223	119	36	of	of	ADP
bibechana-79223	119	37	seebeck	seebeck	NOUN
bibechana-79223	119	38	coefficient	coefficient	NOUN
bibechana-79223	119	39	gradually	gradually	ADV
bibechana-79223	119	40	increases	increase	VERB
bibechana-79223	119	41	towards	towards	ADP
bibechana-79223	119	42	zero	zero	NUM
bibechana-79223	119	43	as	as	SCONJ
bibechana-79223	119	44	temperature	temperature	NOUN
bibechana-79223	119	45	approaches	approach	VERB
bibechana-79223	119	46	850	850	NUM
bibechana-79223	119	47	k.	k.	NOUN
bibechana-79223	119	48	the	the	DET
bibechana-79223	119	49	change	change	NOUN
bibechana-79223	119	50	in	in	ADP
bibechana-79223	119	51	sign	sign	NOUN
bibechana-79223	119	52	of	of	ADP
bibechana-79223	119	53	the	the	DET
bibechana-79223	119	54	coefficient	coefficient	NOUN
bibechana-79223	119	55	indicates	indicate	VERB
bibechana-79223	119	56	a	a	DET
bibechana-79223	119	57	crossover	crossover	NOUN
bibechana-79223	119	58	in	in	ADP
bibechana-79223	119	59	carrier	carrier	NOUN
bibechana-79223	119	60	type	type	NOUN
bibechana-79223	119	61	dominance	dominance	NOUN
bibechana-79223	119	62	.	.	PUNCT
bibechana-79223	120	1	its	its	PRON
bibechana-79223	120	2	positive	positive	ADJ
bibechana-79223	120	3	value	value	NOUN
bibechana-79223	120	4	indictes	indict	VERB
bibechana-79223	120	5	hole	hole	NOUN
bibechana-79223	120	6	-	-	PUNCT
bibechana-79223	120	7	like	like	ADJ
bibechana-79223	120	8	or	or	CCONJ
bibechana-79223	120	9	p	p	ADJ
bibechana-79223	120	10	-	-	PUNCT
bibechana-79223	120	11	type	type	NOUN
bibechana-79223	120	12	behaviour	behaviour	NOUN
bibechana-79223	120	13	whereas	whereas	SCONJ
bibechana-79223	120	14	negative	negative	ADJ
bibechana-79223	120	15	value	value	NOUN
bibechana-79223	120	16	indicates	indicate	VERB
bibechana-79223	120	17	electron	electron	NOUN
bibechana-79223	120	18	-	-	PUNCT
bibechana-79223	120	19	like	like	ADJ
bibechana-79223	120	20	or	or	CCONJ
bibechana-79223	120	21	ntype	ntype	NOUN
bibechana-79223	120	22	behaviour	behaviour	NOUN
bibechana-79223	120	23	.	.	PUNCT
bibechana-79223	121	1	the	the	DET
bibechana-79223	121	2	sharp	sharp	ADJ
bibechana-79223	121	3	negative	negative	ADJ
bibechana-79223	121	4	peak	peak	NOUN
bibechana-79223	121	5	suggests	suggest	VERB
bibechana-79223	121	6	dominant	dominant	ADJ
bibechana-79223	121	7	n	n	CCONJ
bibechana-79223	121	8	-	-	PUNCT
bibechana-79223	121	9	type	type	NOUN
bibechana-79223	121	10	conduction	conduction	NOUN
bibechana-79223	121	11	at	at	ADP
bibechana-79223	121	12	intermediate	intermediate	ADJ
bibechana-79223	121	13	temperatures	temperature	NOUN
bibechana-79223	121	14	.	.	PUNCT
bibechana-79223	122	1	the	the	DET
bibechana-79223	122	2	plot	plot	NOUN
bibechana-79223	122	3	of	of	ADP
bibechana-79223	122	4	electrical	electrical	ADJ
bibechana-79223	122	5	conductivity	conductivity	NOUN
bibechana-79223	122	6	decreases	decrease	NOUN
bibechana-79223	122	7	with	with	ADP
bibechana-79223	122	8	temperature	temperature	NOUN
bibechana-79223	122	9	(	(	PUNCT
bibechana-79223	122	10	top	top	ADJ
bibechana-79223	122	11	right	right	ADJ
bibechana-79223	122	12	panel	panel	NOUN
bibechana-79223	122	13	of	of	ADP
bibechana-79223	122	14	figure	figure	NOUN
bibechana-79223	122	15	5	5	NUM
bibechana-79223	122	16	)	)	PUNCT
bibechana-79223	122	17	.	.	PUNCT
bibechana-79223	123	1	this	this	DET
bibechana-79223	123	2	behaviour	behaviour	NOUN
bibechana-79223	123	3	is	be	AUX
bibechana-79223	123	4	expected	expect	VERB
bibechana-79223	123	5	for	for	ADP
bibechana-79223	123	6	metallic	metallic	ADJ
bibechana-79223	123	7	semiconducting	semiconducting	NOUN
bibechana-79223	123	8	materials	material	NOUN
bibechana-79223	123	9	,	,	PUNCT
bibechana-79223	123	10	in	in	ADP
bibechana-79223	123	11	which	which	PRON
bibechana-79223	123	12	increased	increase	VERB
bibechana-79223	123	13	phonon	phonon	NOUN
bibechana-79223	123	14	scattering	scatter	VERB
bibechana-79223	123	15	takes	take	VERB
bibechana-79223	123	16	place	place	NOUN
bibechana-79223	123	17	at	at	ADP
bibechana-79223	123	18	higher	high	ADJ
bibechana-79223	123	19	temperatures	temperature	NOUN
bibechana-79223	123	20	thereby	thereby	ADV
bibechana-79223	123	21	reducing	reduce	VERB
bibechana-79223	123	22	the	the	DET
bibechana-79223	123	23	conductivity	conductivity	NOUN
bibechana-79223	123	24	of	of	ADP
bibechana-79223	123	25	material	material	NOUN
bibechana-79223	123	26	.	.	PUNCT
bibechana-79223	124	1	further	far	ADV
bibechana-79223	124	2	,	,	PUNCT
bibechana-79223	124	3	the	the	DET
bibechana-79223	124	4	thermal	thermal	ADJ
bibechana-79223	124	5	conductivity	conductivity	NOUN
bibechana-79223	124	6	of	of	ADP
bibechana-79223	124	7	the	the	DET
bibechana-79223	124	8	material	material	NOUN
bibechana-79223	124	9	increases	increase	VERB
bibechana-79223	124	10	linearly	linearly	ADV
bibechana-79223	124	11	with	with	ADP
bibechana-79223	124	12	temperature	temperature	NOUN
bibechana-79223	124	13	(	(	PUNCT
bibechana-79223	124	14	bottom	bottom	ADJ
bibechana-79223	124	15	left	left	ADJ
bibechana-79223	124	16	panel	panel	NOUN
bibechana-79223	124	17	of	of	ADP
bibechana-79223	124	18	figure	figure	NOUN
bibechana-79223	124	19	5	5	NUM
bibechana-79223	124	20	)	)	PUNCT
bibechana-79223	124	21	.	.	PUNCT
bibechana-79223	125	1	this	this	DET
bibechana-79223	125	2	behaviour	behaviour	NOUN
bibechana-79223	125	3	is	be	AUX
bibechana-79223	125	4	typical	typical	ADJ
bibechana-79223	125	5	as	as	SCONJ
bibechana-79223	125	6	thermal	thermal	ADJ
bibechana-79223	125	7	conductivity	conductivity	NOUN
bibechana-79223	125	8	due	due	ADP
bibechana-79223	125	9	to	to	ADP
bibechana-79223	125	10	electrons	electron	NOUN
bibechana-79223	125	11	generally	generally	ADV
bibechana-79223	125	12	increases	increase	VERB
bibechana-79223	125	13	with	with	ADP
bibechana-79223	125	14	temperature	temperature	NOUN
bibechana-79223	125	15	in	in	ADP
bibechana-79223	125	16	metallic	metallic	ADJ
bibechana-79223	125	17	system	system	NOUN
bibechana-79223	125	18	.	.	PUNCT
bibechana-79223	126	1	the	the	DET
bibechana-79223	126	2	power	power	NOUN
bibechana-79223	126	3	factor	factor	NOUN
bibechana-79223	126	4	combines	combine	VERB
bibechana-79223	126	5	seebeck	seebeck	NOUN
bibechana-79223	126	6	and	and	CCONJ
bibechana-79223	126	7	conductivity	conductivity	NOUN
bibechana-79223	126	8	,	,	PUNCT
bibechana-79223	126	9	which	which	PRON
bibechana-79223	126	10	is	be	AUX
bibechana-79223	126	11	a	a	DET
bibechana-79223	126	12	key	key	ADJ
bibechana-79223	126	13	quantity	quantity	NOUN
bibechana-79223	126	14	in	in	ADP
bibechana-79223	126	15	thermoelectric	thermoelectric	ADJ
bibechana-79223	126	16	performance	performance	NOUN
bibechana-79223	126	17	.	.	PUNCT
bibechana-79223	127	1	the	the	DET
bibechana-79223	127	2	plot	plot	NOUN
bibechana-79223	127	3	of	of	ADP
bibechana-79223	127	4	power	power	NOUN
bibechana-79223	127	5	factor	factor	NOUN
bibechana-79223	127	6	stars	star	NOUN
bibechana-79223	127	7	from	from	ADP
bibechana-79223	127	8	zero	zero	NUM
bibechana-79223	127	9	at	at	ADP
bibechana-79223	127	10	/	/	SYM
bibechana-79223	127	11	about	about	ADP
bibechana-79223	127	12	200	200	NUM
bibechana-79223	127	13	k	k	NOUN
bibechana-79223	127	14	and	and	CCONJ
bibechana-79223	127	15	then	then	ADV
bibechana-79223	127	16	gradually	gradually	ADV
bibechana-79223	127	17	increases	increase	VERB
bibechana-79223	127	18	attaining	attain	VERB
bibechana-79223	127	19	peak	peak	NOUN
bibechana-79223	127	20	value	value	NOUN
bibechana-79223	127	21	around	around	ADP
bibechana-79223	127	22	300	300	NUM
bibechana-79223	127	23	k.	k.	NOUN
bibechana-79223	128	1	it	it	PRON
bibechana-79223	128	2	decreases	decrease	VERB
bibechana-79223	128	3	sharply	sharply	ADV
bibechana-79223	128	4	then	then	ADV
bibechana-79223	128	5	after	after	ADP
bibechana-79223	128	6	with	with	ADP
bibechana-79223	128	7	further	further	ADJ
bibechana-79223	128	8	increase	increase	NOUN
bibechana-79223	128	9	in	in	ADP
bibechana-79223	128	10	temperature	temperature	NOUN
bibechana-79223	128	11	(	(	PUNCT
bibechana-79223	128	12	bottom	bottom	ADJ
bibechana-79223	128	13	right	right	ADJ
bibechana-79223	128	14	panel	panel	NOUN
bibechana-79223	128	15	of	of	ADP
bibechana-79223	128	16	figure	figure	NOUN
bibechana-79223	128	17	5	5	NUM
bibechana-79223	128	18	)	)	PUNCT
bibechana-79223	128	19	.	.	PUNCT
bibechana-79223	129	1	the	the	DET
bibechana-79223	129	2	peak	peak	NOUN
bibechana-79223	129	3	near	near	ADP
bibechana-79223	129	4	300	300	NUM
bibechana-79223	129	5	k	k	NOUN
bibechana-79223	129	6	indicates	indicate	VERB
bibechana-79223	129	7	optimal	optimal	ADJ
bibechana-79223	129	8	thermoelectric	thermoelectric	ADJ
bibechana-79223	129	9	performance	performance	NOUN
bibechana-79223	129	10	at	at	ADP
bibechana-79223	129	11	room	room	NOUN
bibechana-79223	129	12	temperature	temperature	NOUN
bibechana-79223	129	13	.	.	PUNCT
bibechana-79223	130	1	4	4	NUM
bibechana-79223	130	2	conclusions	conclusion	NOUN
bibechana-79223	130	3	the	the	DET
bibechana-79223	130	4	structural	structural	ADJ
bibechana-79223	130	5	,	,	PUNCT
bibechana-79223	130	6	mechanical	mechanical	ADJ
bibechana-79223	130	7	,	,	PUNCT
bibechana-79223	130	8	electronic	electronic	ADJ
bibechana-79223	130	9	,	,	PUNCT
bibechana-79223	130	10	and	and	CCONJ
bibechana-79223	130	11	thermoelectric	thermoelectric	ADJ
bibechana-79223	130	12	properties	property	NOUN
bibechana-79223	130	13	of	of	ADP
bibechana-79223	130	14	zncu	zncu	PROPN
bibechana-79223	130	15	have	have	AUX
bibechana-79223	130	16	been	be	AUX
bibechana-79223	130	17	systematically	systematically	ADV
bibechana-79223	130	18	investigated	investigate	VERB
bibechana-79223	130	19	using	use	VERB
bibechana-79223	130	20	the	the	DET
bibechana-79223	130	21	first	first	ADJ
bibechana-79223	130	22	principles	principle	NOUN
bibechana-79223	130	23	calculations	calculation	NOUN
bibechana-79223	130	24	employing	employ	VERB
bibechana-79223	130	25	quantum	quantum	ADJ
bibechana-79223	130	26	espresso	espresso	NOUN
bibechana-79223	130	27	codes	code	NOUN
bibechana-79223	130	28	.	.	PUNCT
bibechana-79223	131	1	elastic	elastic	ADJ
bibechana-79223	131	2	constant	constant	ADJ
bibechana-79223	131	3	calculations	calculation	NOUN
bibechana-79223	131	4	confirm	confirm	VERB
bibechana-79223	131	5	the	the	DET
bibechana-79223	131	6	mechanical	mechanical	ADJ
bibechana-79223	131	7	stability	stability	NOUN
bibechana-79223	131	8	of	of	ADP
bibechana-79223	131	9	the	the	DET
bibechana-79223	131	10	compound	compound	NOUN
bibechana-79223	131	11	,	,	PUNCT
bibechana-79223	131	12	satisfying	satisfy	VERB
bibechana-79223	131	13	the	the	DET
bibechana-79223	131	14	born	bear	VERB
bibechana-79223	131	15	stability	stability	NOUN
bibechana-79223	131	16	criteria	criterion	NOUN
bibechana-79223	131	17	for	for	ADP
bibechana-79223	131	18	cubic	cubic	ADJ
bibechana-79223	131	19	systems	system	NOUN
bibechana-79223	131	20	.	.	PUNCT
bibechana-79223	132	1	pugh	pugh	PROPN
bibechana-79223	132	2	’s	’s	PART
bibechana-79223	132	3	ratio	ratio	NOUN
bibechana-79223	132	4	and	and	CCONJ
bibechana-79223	132	5	poisson	poisson	PROPN
bibechana-79223	132	6	’s	’s	PART
bibechana-79223	132	7	ratio	ratio	NOUN
bibechana-79223	132	8	indicate	indicate	VERB
bibechana-79223	132	9	that	that	SCONJ
bibechana-79223	132	10	zncu	zncu	PROPN
bibechana-79223	132	11	is	be	AUX
bibechana-79223	132	12	ductile	ductile	NOUN
bibechana-79223	132	13	,	,	PUNCT
bibechana-79223	132	14	while	while	SCONJ
bibechana-79223	132	15	the	the	DET
bibechana-79223	132	16	universal	universal	ADJ
bibechana-79223	132	17	anisotropy	anisotropy	NOUN
bibechana-79223	132	18	index	index	NOUN
bibechana-79223	132	19	and	and	CCONJ
bibechana-79223	132	20	elate	elate	ADJ
bibechana-79223	132	21	visualizations	visualization	NOUN
bibechana-79223	132	22	reveal	reveal	VERB
bibechana-79223	132	23	significant	significant	ADJ
bibechana-79223	132	24	elastic	elastic	ADJ
bibechana-79223	132	25	anisotropy	anisotropy	NOUN
bibechana-79223	132	26	.	.	PUNCT
bibechana-79223	133	1	electronic	electronic	ADJ
bibechana-79223	133	2	band	band	NOUN
bibechana-79223	133	3	structure	structure	NOUN
bibechana-79223	133	4	analysis	analysis	NOUN
bibechana-79223	133	5	demonstrates	demonstrate	VERB
bibechana-79223	133	6	that	that	SCONJ
bibechana-79223	133	7	zncu	zncu	PROPN
bibechana-79223	133	8	exhibits	exhibit	VERB
bibechana-79223	133	9	metallic	metallic	ADJ
bibechana-79223	133	10	behavior	behavior	NOUN
bibechana-79223	133	11	,	,	PUNCT
bibechana-79223	133	12	with	with	ADP
bibechana-79223	133	13	no	no	DET
bibechana-79223	133	14	band	band	NOUN
bibechana-79223	133	15	gap	gap	NOUN
bibechana-79223	133	16	across	across	ADP
bibechana-79223	133	17	the	the	DET
bibechana-79223	133	18	fermi	fermi	NOUN
bibechana-79223	133	19	level	level	NOUN
bibechana-79223	133	20	.	.	PUNCT
bibechana-79223	134	1	this	this	DET
bibechana-79223	134	2	metallic	metallic	ADJ
bibechana-79223	134	3	nature	nature	NOUN
bibechana-79223	134	4	supports	support	VERB
bibechana-79223	134	5	good	good	ADJ
bibechana-79223	134	6	electrical	electrical	ADJ
bibechana-79223	134	7	conductivity	conductivity	NOUN
bibechana-79223	134	8	,	,	PUNCT
bibechana-79223	134	9	which	which	PRON
bibechana-79223	134	10	is	be	AUX
bibechana-79223	134	11	a	a	DET
bibechana-79223	134	12	critical	critical	ADJ
bibechana-79223	134	13	factor	factor	NOUN
bibechana-79223	134	14	in	in	ADP
bibechana-79223	134	15	thermoelectric	thermoelectric	ADJ
bibechana-79223	134	16	performance	performance	NOUN
bibechana-79223	134	17	.	.	PUNCT
bibechana-79223	135	1	thermoelectric	thermoelectric	ADJ
bibechana-79223	135	2	calculations	calculation	NOUN
bibechana-79223	135	3	show	show	VERB
bibechana-79223	135	4	that	that	SCONJ
bibechana-79223	135	5	zncu	zncu	PROPN
bibechana-79223	135	6	achieves	achieve	VERB
bibechana-79223	135	7	its	its	PRON
bibechana-79223	135	8	highest	high	ADJ
bibechana-79223	135	9	power	power	NOUN
bibechana-79223	135	10	factor	factor	NOUN
bibechana-79223	135	11	at	at	ADP
bibechana-79223	135	12	300	300	NUM
bibechana-79223	135	13	k	k	NOUN
bibechana-79223	135	14	,	,	PUNCT
bibechana-79223	135	15	highlighting	highlight	VERB
bibechana-79223	135	16	its	its	PRON
bibechana-79223	135	17	potential	potential	NOUN
bibechana-79223	135	18	for	for	ADP
bibechana-79223	135	19	energy	energy	NOUN
bibechana-79223	135	20	conversion	conversion	NOUN
bibechana-79223	135	21	applications	application	NOUN
bibechana-79223	135	22	.	.	PUNCT
bibechana-79223	136	1	thus	thus	ADV
bibechana-79223	136	2	,	,	PUNCT
bibechana-79223	136	3	zncu	zncu	PROPN
bibechana-79223	136	4	shashit	shashit	VERB
bibechana-79223	136	5	kumar	kumar	PROPN
bibechana-79223	136	6	yadav	yadav	PROPN
bibechana-79223	136	7	et	et	PROPN
bibechana-79223	136	8	al./	al./	ADV
bibechana-79223	136	9	bibechana	bibechana	PROPN
bibechana-79223	136	10	22	22	NUM
bibechana-79223	136	11	(	(	PUNCT
bibechana-79223	136	12	2025	2025	NUM
bibechana-79223	136	13	)	)	PUNCT
bibechana-79223	136	14	188	188	NUM
bibechana-79223	136	15	-	-	SYM
bibechana-79223	136	16	195	195	NUM
bibechana-79223	136	17	194	194	NUM
bibechana-79223	136	18	figure	figure	NOUN
bibechana-79223	136	19	5	5	NUM
bibechana-79223	136	20	:	:	PUNCT
bibechana-79223	136	21	temperature	temperature	NOUN
bibechana-79223	136	22	dependence	dependence	NOUN
bibechana-79223	136	23	of	of	ADP
bibechana-79223	136	24	seebeck	seebeck	PROPN
bibechana-79223	136	25	coefficient	coefficient	PROPN
bibechana-79223	136	26	(	(	PUNCT
bibechana-79223	136	27	s	s	NOUN
bibechana-79223	136	28	)	)	PUNCT
bibechana-79223	136	29	,	,	PUNCT
bibechana-79223	136	30	electrical	electrical	ADJ
bibechana-79223	136	31	conductivity	conductivity	NOUN
bibechana-79223	136	32	(	(	PUNCT
bibechana-79223	136	33	σ	σ	NOUN
bibechana-79223	136	34	/	/	SYM
bibechana-79223	136	35	τ0	τ0	NOUN
bibechana-79223	136	36	)	)	PUNCT
bibechana-79223	136	37	,	,	PUNCT
bibechana-79223	136	38	thermal	thermal	ADJ
bibechana-79223	136	39	conductivity	conductivity	NOUN
bibechana-79223	136	40	(	(	PUNCT
bibechana-79223	136	41	ke	ke	NOUN
bibechana-79223	136	42	/	/	SYM
bibechana-79223	136	43	τ0	τ0	NOUN
bibechana-79223	136	44	)	)	PUNCT
bibechana-79223	136	45	,	,	PUNCT
bibechana-79223	136	46	and	and	CCONJ
bibechana-79223	136	47	power	power	NOUN
bibechana-79223	136	48	factor	factor	NOUN
bibechana-79223	136	49	(	(	PUNCT
bibechana-79223	136	50	pf	pf	NOUN
bibechana-79223	136	51	=	=	SYM
bibechana-79223	136	52	s2σ	s2σ	X
bibechana-79223	136	53	/	/	SYM
bibechana-79223	136	54	τ	τ	PROPN
bibechana-79223	136	55	)	)	PUNCT
bibechana-79223	136	56	of	of	ADP
bibechana-79223	136	57	zncu	zncu	PROPN
bibechana-79223	136	58	.	.	PUNCT
bibechana-79223	137	1	combines	combine	VERB
bibechana-79223	137	2	mechanical	mechanical	ADJ
bibechana-79223	137	3	robustness	robustness	NOUN
bibechana-79223	137	4	,	,	PUNCT
bibechana-79223	137	5	metallic	metallic	ADJ
bibechana-79223	137	6	conductivity	conductivity	NOUN
bibechana-79223	137	7	,	,	PUNCT
bibechana-79223	137	8	and	and	CCONJ
bibechana-79223	137	9	promising	promise	VERB
bibechana-79223	137	10	thermoelectric	thermoelectric	ADJ
bibechana-79223	137	11	performance	performance	NOUN
bibechana-79223	137	12	,	,	PUNCT
bibechana-79223	137	13	making	make	VERB
bibechana-79223	137	14	it	it	PRON
bibechana-79223	137	15	a	a	DET
bibechana-79223	137	16	potential	potential	ADJ
bibechana-79223	137	17	candidate	candidate	NOUN
bibechana-79223	137	18	for	for	ADP
bibechana-79223	137	19	multifunctional	multifunctional	ADJ
bibechana-79223	137	20	applications	application	NOUN
bibechana-79223	137	21	in	in	ADP
bibechana-79223	137	22	structural	structural	ADJ
bibechana-79223	137	23	and	and	CCONJ
bibechana-79223	137	24	energy	energy	NOUN
bibechana-79223	137	25	-	-	PUNCT
bibechana-79223	137	26	related	relate	VERB
bibechana-79223	137	27	technologies	technology	NOUN
bibechana-79223	137	28	.	.	PUNCT
bibechana-79223	138	1	references	reference	NOUN
bibechana-79223	138	2	[	[	X
bibechana-79223	138	3	1	1	NUM
bibechana-79223	138	4	]	]	X
bibechana-79223	138	5	sah	sah	NOUN
bibechana-79223	138	6	d	d	PROPN
bibechana-79223	138	7	,	,	PUNCT
bibechana-79223	138	8	adhikari	adhikari	PROPN
bibechana-79223	138	9	d	d	PROPN
bibechana-79223	138	10	,	,	PUNCT
bibechana-79223	138	11	yadav	yadav	PROPN
bibechana-79223	138	12	s.	s.	PROPN
bibechana-79223	138	13	temperaturedependence	temperaturedependence	PROPN
bibechana-79223	138	14	of	of	ADP
bibechana-79223	138	15	mixing	mix	VERB
bibechana-79223	138	16	properties	property	NOUN
bibechana-79223	138	17	of	of	ADP
bibechana-79223	138	18	cu	cu	PROPN
bibechana-79223	138	19	-	-	PUNCT
bibechana-79223	138	20	ti	ti	NOUN
bibechana-79223	138	21	liquid	liquid	ADJ
bibechana-79223	138	22	alloy	alloy	NOUN
bibechana-79223	138	23	.	.	PUNCT
bibechana-79223	139	1	adhyayan	adhyayan	PROPN
bibechana-79223	139	2	journal	journal	PROPN
bibechana-79223	139	3	.	.	PUNCT
bibechana-79223	140	1	2023;10(10):1	2023;10(10):1	NUM
bibechana-79223	140	2	–	–	PUNCT
bibechana-79223	140	3	10	10	NUM
bibechana-79223	140	4	.	.	PUNCT
bibechana-79223	141	1	[	[	X
bibechana-79223	141	2	2	2	X
bibechana-79223	141	3	]	]	X
bibechana-79223	141	4	yadav	yadav	PROPN
bibechana-79223	141	5	s	s	PROPN
bibechana-79223	141	6	,	,	PUNCT
bibechana-79223	141	7	gautamm	gautamm	INTJ
bibechana-79223	141	8	,	,	PUNCT
bibechana-79223	141	9	adhikari	adhikari	PROPN
bibechana-79223	141	10	d.	d.	PROPN
bibechana-79223	141	11	mixing	mix	VERB
bibechana-79223	141	12	properties	property	NOUN
bibechana-79223	141	13	of	of	ADP
bibechana-79223	141	14	cu	cu	PROPN
bibechana-79223	141	15	–	–	PUNCT
bibechana-79223	141	16	mg	mg	NOUN
bibechana-79223	141	17	liquid	liquid	ADJ
bibechana-79223	141	18	alloy	alloy	NOUN
bibechana-79223	141	19	.	.	PUNCT
bibechana-79223	142	1	aip	aip	PROPN
bibechana-79223	142	2	advances	advance	NOUN
bibechana-79223	142	3	.	.	PUNCT
bibechana-79223	143	1	2020;10(12	2020;10(12	NUM
bibechana-79223	143	2	)	)	PUNCT
bibechana-79223	143	3	.	.	PUNCT
bibechana-79223	144	1	[	[	X
bibechana-79223	144	2	3	3	X
bibechana-79223	144	3	]	]	X
bibechana-79223	144	4	godbole	godbole	NOUN
bibechana-79223	144	5	r	r	PROPN
bibechana-79223	144	6	,	,	PUNCT
bibechana-79223	144	7	jha	jha	PROPN
bibechana-79223	144	8	s	s	PROPN
bibechana-79223	144	9	,	,	PUNCT
bibechana-79223	144	10	milanarun	milanarun	PROPN
bibechana-79223	144	11	m	m	PROPN
bibechana-79223	144	12	,	,	PUNCT
bibechana-79223	144	13	mishra	mishra	PROPN
bibechana-79223	144	14	a.	a.	PROPN
bibechana-79223	144	15	thermodynamics	thermodynamic	NOUN
bibechana-79223	144	16	of	of	ADP
bibechana-79223	144	17	liquid	liquid	ADJ
bibechana-79223	144	18	cu	cu	PROPN
bibechana-79223	144	19	–	–	PUNCT
bibechana-79223	144	20	mg	mg	PROPN
bibechana-79223	144	21	alloys	alloy	NOUN
bibechana-79223	144	22	.	.	PUNCT
bibechana-79223	145	1	journal	journal	NOUN
bibechana-79223	145	2	of	of	ADP
bibechana-79223	145	3	alloys	alloy	NOUN
bibechana-79223	145	4	and	and	CCONJ
bibechana-79223	145	5	compounds	compound	NOUN
bibechana-79223	145	6	.	.	PUNCT
bibechana-79223	146	1	2004;363(12):187–193	2004;363(12):187–193	NUM
bibechana-79223	146	2	.	.	PUNCT
bibechana-79223	147	1	[	[	X
bibechana-79223	147	2	4	4	NUM
bibechana-79223	147	3	]	]	PUNCT
bibechana-79223	147	4	iwaoka	iwaoka	NOUN
bibechana-79223	147	5	h	h	NOUN
bibechana-79223	147	6	,	,	PUNCT
bibechana-79223	147	7	hirosawa	hirosawa	PROPN
bibechana-79223	147	8	s.	s.	PROPN
bibechana-79223	147	9	first	first	ADJ
bibechana-79223	147	10	-	-	PUNCT
bibechana-79223	147	11	principles	principle	NOUN
bibechana-79223	147	12	calculation	calculation	NOUN
bibechana-79223	147	13	of	of	ADP
bibechana-79223	147	14	elastic	elastic	ADJ
bibechana-79223	147	15	properties	property	NOUN
bibechana-79223	147	16	of	of	ADP
bibechana-79223	147	17	cu	cu	PROPN
bibechana-79223	147	18	-	-	PUNCT
bibechana-79223	147	19	zn	zn	PROPN
bibechana-79223	147	20	intermetallic	intermetallic	ADJ
bibechana-79223	147	21	compounds	compound	NOUN
bibechana-79223	147	22	for	for	ADP
bibechana-79223	147	23	improving	improve	VERB
bibechana-79223	147	24	the	the	DET
bibechana-79223	147	25	stiffness	stiffness	NOUN
bibechana-79223	147	26	of	of	ADP
bibechana-79223	147	27	aluminum	aluminum	NOUN
bibechana-79223	147	28	alloys	alloy	NOUN
bibechana-79223	147	29	.	.	PUNCT
bibechana-79223	148	1	computational	computational	ADJ
bibechana-79223	148	2	materials	material	NOUN
bibechana-79223	148	3	science	science	NOUN
bibechana-79223	148	4	.	.	PUNCT
bibechana-79223	149	1	2020;174:109479	2020;174:109479	NUM
bibechana-79223	149	2	.	.	PUNCT
bibechana-79223	150	1	[	[	X
bibechana-79223	150	2	5	5	X
bibechana-79223	150	3	]	]	X
bibechana-79223	150	4	liu	liu	PROPN
bibechana-79223	150	5	q	q	PROPN
bibechana-79223	150	6	,	,	PUNCT
bibechana-79223	150	7	cheng	cheng	PROPN
bibechana-79223	150	8	l.	l.	PROPN
bibechana-79223	150	9	structural	structural	ADJ
bibechana-79223	150	10	evolution	evolution	NOUN
bibechana-79223	150	11	and	and	CCONJ
bibechana-79223	150	12	electronic	electronic	ADJ
bibechana-79223	150	13	properties	property	NOUN
bibechana-79223	150	14	of	of	ADP
bibechana-79223	150	15	cu	cu	PROPN
bibechana-79223	150	16	-	-	PUNCT
bibechana-79223	150	17	zn	zn	PROPN
bibechana-79223	150	18	alloy	alloy	NOUN
bibechana-79223	150	19	clusters	cluster	NOUN
bibechana-79223	150	20	.	.	PUNCT
bibechana-79223	151	1	journal	journal	NOUN
bibechana-79223	151	2	of	of	ADP
bibechana-79223	151	3	alloys	alloy	NOUN
bibechana-79223	151	4	and	and	CCONJ
bibechana-79223	151	5	compounds	compound	NOUN
bibechana-79223	151	6	.	.	PUNCT
bibechana-79223	152	1	2019;771:762	2019;771:762	NUM
bibechana-79223	152	2	–	–	PUNCT
bibechana-79223	152	3	768	768	NUM
bibechana-79223	152	4	.	.	PUNCT
bibechana-79223	153	1	[	[	X
bibechana-79223	153	2	6	6	NUM
bibechana-79223	153	3	]	]	SYM
bibechana-79223	153	4	li	li	PROPN
bibechana-79223	153	5	l	l	PROPN
bibechana-79223	153	6	,	,	PUNCT
bibechana-79223	153	7	zhou	zhou	PROPN
bibechana-79223	153	8	wang	wang	PROPN
bibechana-79223	153	9	y	y	PROPN
bibechana-79223	153	10	,	,	PUNCT
bibechana-79223	153	11	liu	liu	PROPN
bibechana-79223	153	12	q	q	PROPN
bibechana-79223	153	13	,	,	PUNCT
bibechana-79223	153	14	wang	wang	PROPN
bibechana-79223	153	15	k	k	PROPN
bibechana-79223	153	16	,	,	PUNCT
bibechana-79223	153	17	bao	bao	PROPN
bibechana-79223	153	18	y	y	PROPN
bibechana-79223	153	19	,	,	PUNCT
bibechana-79223	153	20	zhao	zhao	PROPN
bibechana-79223	153	21	b	b	PROPN
bibechana-79223	153	22	,	,	PUNCT
bibechana-79223	153	23	et	et	PROPN
bibechana-79223	153	24	al	al	PROPN
bibechana-79223	153	25	.	.	PUNCT
bibechana-79223	154	1	the	the	DET
bibechana-79223	154	2	thermodynamic	thermodynamic	ADJ
bibechana-79223	154	3	properties	property	NOUN
bibechana-79223	154	4	of	of	ADP
bibechana-79223	154	5	disorder	disorder	NOUN
bibechana-79223	154	6	cuzn	cuzn	VERB
bibechana-79223	154	7	solid	solid	ADJ
bibechana-79223	154	8	solution	solution	NOUN
bibechana-79223	154	9	and	and	CCONJ
bibechana-79223	154	10	nonstoichiometric	nonstoichiometric	PROPN
bibechana-79223	154	11	cu	cu	PROPN
bibechana-79223	154	12	-	-	PUNCT
bibechana-79223	154	13	zn	zn	PROPN
bibechana-79223	154	14	alloy	alloy	NOUN
bibechana-79223	154	15	:	:	PUNCT
bibechana-79223	154	16	pseudo	pseudo	NOUN
bibechana-79223	154	17	-	-	ADJ
bibechana-79223	154	18	atomic	atomic	ADJ
bibechana-79223	154	19	lattice	lattice	NOUN
bibechana-79223	154	20	inversion	inversion	NOUN
bibechana-79223	154	21	potential	potential	ADJ
bibechana-79223	154	22	method	method	NOUN
bibechana-79223	154	23	.	.	PUNCT
bibechana-79223	155	1	journal	journal	NOUN
bibechana-79223	155	2	of	of	ADP
bibechana-79223	155	3	solid	solid	ADJ
bibechana-79223	155	4	state	state	NOUN
bibechana-79223	155	5	chemistry	chemistry	NOUN
bibechana-79223	155	6	.	.	PUNCT
bibechana-79223	156	1	2020;289:121488	2020;289:121488	NUM
bibechana-79223	156	2	.	.	PUNCT
bibechana-79223	157	1	[	[	X
bibechana-79223	157	2	7	7	X
bibechana-79223	157	3	]	]	X
bibechana-79223	157	4	peter	peter	PROPN
bibechana-79223	157	5	m	m	PROPN
bibechana-79223	157	6	,	,	PUNCT
bibechana-79223	157	7	potzel	potzel	PROPN
bibechana-79223	157	8	w	w	PROPN
bibechana-79223	157	9	,	,	PUNCT
bibechana-79223	157	10	steiner	steiner	PROPN
bibechana-79223	157	11	m	m	PROPN
bibechana-79223	157	12	,	,	PUNCT
bibechana-79223	157	13	schäfer	schäfer	NOUN
bibechana-79223	157	14	c	c	PROPN
bibechana-79223	157	15	,	,	PUNCT
bibechana-79223	157	16	karzel	karzel	ADJ
bibechana-79223	157	17	h	h	NOUN
bibechana-79223	157	18	,	,	PUNCT
bibechana-79223	157	19	schiessl	schiessl	VERB
bibechana-79223	157	20	w	w	PROPN
bibechana-79223	157	21	,	,	PUNCT
bibechana-79223	157	22	et	et	PROPN
bibechana-79223	157	23	al	al	PROPN
bibechana-79223	157	24	.	.	PUNCT
bibechana-79223	157	25	lattice	lattice	PROPN
bibechana-79223	157	26	-	-	PUNCT
bibechana-79223	157	27	dynamical	dynamical	ADJ
bibechana-79223	157	28	effects	effect	NOUN
bibechana-79223	157	29	and	and	CCONJ
bibechana-79223	157	30	hyperfine	hyperfine	ADJ
bibechana-79223	157	31	interactions	interaction	NOUN
bibechana-79223	157	32	in	in	ADP
bibechana-79223	157	33	cu	cu	PROPN
bibechana-79223	157	34	-	-	PUNCT
bibechana-79223	157	35	zn	zn	PROPN
bibechana-79223	157	36	alloys	alloy	NOUN
bibechana-79223	157	37	.	.	PUNCT
bibechana-79223	158	1	physical	physical	PROPN
bibechana-79223	158	2	review	review	PROPN
bibechana-79223	158	3	b.	b.	PROPN
bibechana-79223	158	4	1993;47(2):753	1993;47(2):753	NUM
bibechana-79223	158	5	.	.	PUNCT
bibechana-79223	159	1	[	[	X
bibechana-79223	159	2	8	8	NUM
bibechana-79223	159	3	]	]	X
bibechana-79223	159	4	liu	liu	PROPN
bibechana-79223	159	5	y	y	PROPN
bibechana-79223	159	6	,	,	PUNCT
bibechana-79223	159	7	wang	wang	PROPN
bibechana-79223	159	8	j	j	PROPN
bibechana-79223	159	9	,	,	PUNCT
bibechana-79223	159	10	gao	gao	PROPN
bibechana-79223	159	11	qn	qn	PROPN
bibechana-79223	159	12	,	,	PUNCT
bibechana-79223	159	13	du	du	PROPN
bibechana-79223	159	14	y.	y.	PROPN
bibechana-79223	159	15	structural	structural	ADJ
bibechana-79223	159	16	,	,	PUNCT
bibechana-79223	159	17	elastic	elastic	ADJ
bibechana-79223	159	18	and	and	CCONJ
bibechana-79223	159	19	electronic	electronic	ADJ
bibechana-79223	159	20	properties	property	NOUN
bibechana-79223	159	21	of	of	ADP
bibechana-79223	159	22	cux	cux	NOUN
bibechana-79223	159	23	compounds	compound	VERB
bibechana-79223	159	24	from	from	ADP
bibechana-79223	159	25	first	first	ADJ
bibechana-79223	159	26	-	-	PUNCT
bibechana-79223	159	27	principles	principle	NOUN
bibechana-79223	159	28	calculashashit	calculashashit	VERB
bibechana-79223	159	29	kumar	kumar	PROPN
bibechana-79223	159	30	yadav	yadav	PROPN
bibechana-79223	159	31	et	et	PROPN
bibechana-79223	159	32	al./	al./	ADV
bibechana-79223	159	33	bibechana	bibechana	PROPN
bibechana-79223	159	34	22	22	NUM
bibechana-79223	159	35	(	(	PUNCT
bibechana-79223	159	36	2025	2025	NUM
bibechana-79223	159	37	)	)	PUNCT
bibechana-79223	159	38	188	188	NUM
bibechana-79223	159	39	-	-	SYM
bibechana-79223	159	40	195	195	NUM
bibechana-79223	159	41	195	195	NUM
bibechana-79223	159	42	tions	tion	NOUN
bibechana-79223	159	43	.	.	PUNCT
bibechana-79223	160	1	journal	journal	PROPN
bibechana-79223	160	2	of	of	ADP
bibechana-79223	160	3	central	central	PROPN
bibechana-79223	160	4	south	south	PROPN
bibechana-79223	160	5	university	university	PROPN
bibechana-79223	160	6	.	.	PUNCT
bibechana-79223	161	1	2015;22(5):1585–1594	2015;22(5):1585–1594	NOUN
bibechana-79223	161	2	.	.	PUNCT
bibechana-79223	162	1	[	[	X
bibechana-79223	162	2	9	9	NUM
bibechana-79223	162	3	]	]	SYM
bibechana-79223	162	4	tang	tang	X
bibechana-79223	162	5	y	y	PROPN
bibechana-79223	162	6	,	,	PUNCT
bibechana-79223	162	7	ma	ma	PROPN
bibechana-79223	162	8	j	j	PROPN
bibechana-79223	162	9	,	,	PUNCT
bibechana-79223	162	10	han	han	PROPN
bibechana-79223	162	11	d	d	PROPN
bibechana-79223	162	12	,	,	PUNCT
bibechana-79223	162	13	wang	wang	PROPN
bibechana-79223	162	14	j	j	PROPN
bibechana-79223	162	15	,	,	PUNCT
bibechana-79223	162	16	qi	qi	PROPN
bibechana-79223	162	17	h	h	NOUN
bibechana-79223	162	18	,	,	PUNCT
bibechana-79223	162	19	jin	jin	PROPN
bibechana-79223	162	20	l.	l.	PROPN
bibechana-79223	162	21	critical	critical	ADJ
bibechana-79223	162	22	evaluation	evaluation	NOUN
bibechana-79223	162	23	and	and	CCONJ
bibechana-79223	162	24	thermodynamic	thermodynamic	ADJ
bibechana-79223	162	25	optimization	optimization	NOUN
bibechana-79223	162	26	of	of	ADP
bibechana-79223	162	27	the	the	DET
bibechana-79223	162	28	cu	cu	PROPN
bibechana-79223	162	29	-	-	PUNCT
bibechana-79223	162	30	zn	zn	PROPN
bibechana-79223	162	31	,	,	PUNCT
bibechana-79223	162	32	cu	cu	PROPN
bibechana-79223	162	33	-	-	PUNCT
bibechana-79223	162	34	se	se	PROPN
bibechana-79223	162	35	and	and	CCONJ
bibechana-79223	162	36	zn	zn	PROPN
bibechana-79223	162	37	-	-	PUNCT
bibechana-79223	162	38	se	se	PROPN
bibechana-79223	162	39	binary	binary	PROPN
bibechana-79223	162	40	systems	system	NOUN
bibechana-79223	162	41	.	.	PUNCT
bibechana-79223	163	1	metals	metal	NOUN
bibechana-79223	163	2	.	.	PUNCT
bibechana-79223	164	1	2022;12(9):1401	2022;12(9):1401	NUM
bibechana-79223	164	2	.	.	PUNCT
bibechana-79223	165	1	[	[	X
bibechana-79223	165	2	10	10	NUM
bibechana-79223	165	3	]	]	SYM
bibechana-79223	165	4	giannozzi	giannozzi	NOUN
bibechana-79223	165	5	p	p	PROPN
bibechana-79223	165	6	,	,	PUNCT
bibechana-79223	165	7	baroni	baroni	PROPN
bibechana-79223	165	8	s	s	PROPN
bibechana-79223	165	9	,	,	PUNCT
bibechana-79223	165	10	bonini	bonini	NOUN
bibechana-79223	165	11	n	n	NOUN
bibechana-79223	165	12	,	,	PUNCT
bibechana-79223	165	13	calandra	calandra	PROPN
bibechana-79223	165	14	m	m	PROPN
bibechana-79223	165	15	,	,	PUNCT
bibechana-79223	165	16	car	car	NOUN
bibechana-79223	165	17	r	r	NOUN
bibechana-79223	165	18	,	,	PUNCT
bibechana-79223	165	19	cavazzoni	cavazzoni	NOUN
bibechana-79223	165	20	c	c	NOUN
bibechana-79223	165	21	,	,	PUNCT
bibechana-79223	165	22	et	et	PROPN
bibechana-79223	165	23	al	al	PROPN
bibechana-79223	165	24	.	.	PUNCT
bibechana-79223	165	25	quantum	quantum	ADJ
bibechana-79223	165	26	espresso	espresso	NOUN
bibechana-79223	165	27	:	:	PUNCT
bibechana-79223	165	28	a	a	DET
bibechana-79223	165	29	modular	modular	ADJ
bibechana-79223	165	30	and	and	CCONJ
bibechana-79223	165	31	open	open	ADJ
bibechana-79223	165	32	-	-	PUNCT
bibechana-79223	165	33	source	source	NOUN
bibechana-79223	165	34	software	software	NOUN
bibechana-79223	165	35	project	project	NOUN
bibechana-79223	165	36	for	for	ADP
bibechana-79223	165	37	quantumsimulations	quantumsimulation	NOUN
bibechana-79223	165	38	of	of	ADP
bibechana-79223	165	39	materials	material	NOUN
bibechana-79223	165	40	.	.	PUNCT
bibechana-79223	166	1	journal	journal	PROPN
bibechana-79223	166	2	of	of	ADP
bibechana-79223	166	3	physics	physics	PROPN
bibechana-79223	166	4	:	:	PUNCT
bibechana-79223	166	5	condensed	condense	VERB
bibechana-79223	166	6	matter	matter	NOUN
bibechana-79223	166	7	.	.	PUNCT
bibechana-79223	167	1	2009;21(39):395502	2009;21(39):395502	X
bibechana-79223	167	2	.	.	PUNCT
bibechana-79223	168	1	[	[	X
bibechana-79223	168	2	11	11	NUM
bibechana-79223	168	3	]	]	X
bibechana-79223	168	4	talirz	talirz	PROPN
bibechana-79223	168	5	l	l	PROPN
bibechana-79223	168	6	,	,	PUNCT
bibechana-79223	168	7	kumbhar	kumbhar	PROPN
bibechana-79223	168	8	s	s	PART
bibechana-79223	168	9	,	,	PUNCT
bibechana-79223	168	10	passaro	passaro	NOUN
bibechana-79223	168	11	e	e	NOUN
bibechana-79223	168	12	,	,	PUNCT
bibechana-79223	168	13	yakutovich	yakutovich	ADJ
bibechana-79223	168	14	av	av	PROPN
bibechana-79223	168	15	,	,	PUNCT
bibechana-79223	168	16	granata	granata	PROPN
bibechana-79223	168	17	v	v	NOUN
bibechana-79223	168	18	,	,	PUNCT
bibechana-79223	168	19	gargiulo	gargiulo	NOUN
bibechana-79223	168	20	f	f	NOUN
bibechana-79223	168	21	,	,	PUNCT
bibechana-79223	168	22	et	et	PROPN
bibechana-79223	168	23	al	al	PROPN
bibechana-79223	168	24	.	.	PUNCT
bibechana-79223	168	25	materials	material	NOUN
bibechana-79223	168	26	cloud	cloud	NOUN
bibechana-79223	168	27	,	,	PUNCT
bibechana-79223	168	28	a	a	DET
bibechana-79223	168	29	platform	platform	NOUN
bibechana-79223	168	30	for	for	ADP
bibechana-79223	168	31	open	open	ADJ
bibechana-79223	168	32	computational	computational	ADJ
bibechana-79223	168	33	science	science	NOUN
bibechana-79223	168	34	.	.	PUNCT
bibechana-79223	169	1	scientific	scientific	ADJ
bibechana-79223	169	2	data	datum	NOUN
bibechana-79223	169	3	.	.	PUNCT
bibechana-79223	170	1	2020;7(1):299	2020;7(1):299	X
bibechana-79223	170	2	.	.	PUNCT
bibechana-79223	171	1	[	[	X
bibechana-79223	171	2	12	12	NUM
bibechana-79223	171	3	]	]	X
bibechana-79223	171	4	yadav	yadav	PROPN
bibechana-79223	171	5	s	s	PROPN
bibechana-79223	171	6	,	,	PUNCT
bibechana-79223	171	7	dahal	dahal	NOUN
bibechana-79223	171	8	s	s	NOUN
bibechana-79223	171	9	,	,	PUNCT
bibechana-79223	171	10	khadka	khadka	NOUN
bibechana-79223	171	11	r	r	NOUN
bibechana-79223	171	12	,	,	PUNCT
bibechana-79223	171	13	guragain	guragain	NOUN
bibechana-79223	171	14	b	b	NOUN
bibechana-79223	171	15	,	,	PUNCT
bibechana-79223	171	16	pokharel	pokharel	NOUN
bibechana-79223	171	17	p	p	NOUN
bibechana-79223	171	18	,	,	PUNCT
bibechana-79223	171	19	oli	oli	PROPN
bibechana-79223	171	20	p	p	X
bibechana-79223	171	21	,	,	PUNCT
bibechana-79223	171	22	et	et	PROPN
bibechana-79223	171	23	al	al	PROPN
bibechana-79223	171	24	.	.	PUNCT
bibechana-79223	172	1	first	first	ADJ
bibechana-79223	172	2	principles	principle	NOUN
bibechana-79223	172	3	study	study	NOUN
bibechana-79223	172	4	of	of	ADP
bibechana-79223	172	5	electronic	electronic	ADJ
bibechana-79223	172	6	,	,	PUNCT
bibechana-79223	172	7	vibrational	vibrational	NOUN
bibechana-79223	172	8	,	,	PUNCT
bibechana-79223	172	9	elastic	elastic	ADJ
bibechana-79223	172	10	,	,	PUNCT
bibechana-79223	172	11	and	and	CCONJ
bibechana-79223	172	12	thermodynamic	thermodynamic	ADJ
bibechana-79223	172	13	properties	property	NOUN
bibechana-79223	172	14	of	of	ADP
bibechana-79223	172	15	sc	sc	PROPN
bibechana-79223	172	16	-	-	PROPN
bibechana-79223	172	17	x	x	PROPN
bibechana-79223	172	18	(	(	PUNCT
bibechana-79223	172	19	x=	x=	PROPN
bibechana-79223	172	20	p	p	X
bibechana-79223	172	21	,	,	PUNCT
bibechana-79223	172	22	s	s	X
bibechana-79223	172	23	,	,	PUNCT
bibechana-79223	172	24	se	se	ADJ
bibechana-79223	172	25	)	)	PUNCT
bibechana-79223	172	26	compounds	compound	NOUN
bibechana-79223	172	27	.	.	PUNCT
bibechana-79223	173	1	engineering	engineering	NOUN
bibechana-79223	173	2	reports	report	NOUN
bibechana-79223	173	3	.	.	PUNCT
bibechana-79223	174	1	2025;7(1):e13115	2025;7(1):e13115	X
bibechana-79223	174	2	.	.	PUNCT
bibechana-79223	175	1	[	[	X
bibechana-79223	175	2	13	13	NUM
bibechana-79223	175	3	]	]	X
bibechana-79223	175	4	dal	dal	NOUN
bibechana-79223	175	5	corso	corso	PROPN
bibechana-79223	175	6	a.	a.	NOUN
bibechana-79223	175	7	elastic	elastic	ADJ
bibechana-79223	175	8	constants	constant	NOUN
bibechana-79223	175	9	of	of	ADP
bibechana-79223	175	10	beryllium	beryllium	NOUN
bibechana-79223	175	11	:	:	PUNCT
bibechana-79223	175	12	a	a	DET
bibechana-79223	175	13	first	first	ADJ
bibechana-79223	175	14	-	-	PUNCT
bibechana-79223	175	15	principles	principle	NOUN
bibechana-79223	175	16	investigation	investigation	NOUN
bibechana-79223	175	17	.	.	PUNCT
bibechana-79223	176	1	journal	journal	PROPN
bibechana-79223	176	2	of	of	ADP
bibechana-79223	176	3	physics	physics	PROPN
bibechana-79223	176	4	:	:	PUNCT
bibechana-79223	176	5	condensed	condense	VERB
bibechana-79223	176	6	matter	matter	NOUN
bibechana-79223	176	7	.	.	PUNCT
bibechana-79223	177	1	2016;28(7):075401	2016;28(7):075401	X
bibechana-79223	177	2	.	.	PUNCT
bibechana-79223	178	1	[	[	X
bibechana-79223	178	2	14	14	NUM
bibechana-79223	178	3	]	]	X
bibechana-79223	178	4	madsen	madsen	PROPN
bibechana-79223	178	5	gk	gk	PROPN
bibechana-79223	178	6	,	,	PUNCT
bibechana-79223	178	7	singh	singh	PROPN
bibechana-79223	178	8	dj	dj	PROPN
bibechana-79223	178	9	.	.	PROPN
bibechana-79223	178	10	boltztrap	boltztrap	PROPN
bibechana-79223	178	11	.	.	PUNCT
bibechana-79223	179	1	a	a	DET
bibechana-79223	179	2	code	code	NOUN
bibechana-79223	179	3	for	for	ADP
bibechana-79223	179	4	calculating	calculate	VERB
bibechana-79223	179	5	band	band	NOUN
bibechana-79223	179	6	-	-	PUNCT
bibechana-79223	179	7	structure	structure	NOUN
bibechana-79223	179	8	dependent	dependent	ADJ
bibechana-79223	179	9	quantities	quantity	NOUN
bibechana-79223	179	10	.	.	PUNCT
bibechana-79223	180	1	computer	computer	NOUN
bibechana-79223	180	2	physics	physics	NOUN
bibechana-79223	180	3	communications	communication	NOUN
bibechana-79223	180	4	.	.	PUNCT
bibechana-79223	181	1	2006;175(1):67–71	2006;175(1):67–71	NOUN
bibechana-79223	181	2	.	.	PUNCT
bibechana-79223	182	1	[	[	X
bibechana-79223	182	2	15	15	NUM
bibechana-79223	182	3	]	]	X
bibechana-79223	182	4	togo	togo	PROPN
bibechana-79223	182	5	a	a	PRON
bibechana-79223	182	6	,	,	PUNCT
bibechana-79223	182	7	chaput	chaput	ADJ
bibechana-79223	182	8	l	l	NOUN
bibechana-79223	182	9	,	,	PUNCT
bibechana-79223	182	10	tadano	tadano	PROPN
bibechana-79223	182	11	t	t	PROPN
bibechana-79223	182	12	,	,	PUNCT
bibechana-79223	182	13	tanaka	tanaka	PROPN
bibechana-79223	182	14	i.	i.	PROPN
bibechana-79223	182	15	implementation	implementation	NOUN
bibechana-79223	182	16	strategies	strategy	NOUN
bibechana-79223	182	17	in	in	ADP
bibechana-79223	182	18	phonopy	phonopy	NOUN
bibechana-79223	182	19	and	and	CCONJ
bibechana-79223	182	20	phono3py	phono3py	PROPN
bibechana-79223	182	21	.	.	PUNCT
bibechana-79223	183	1	journal	journal	PROPN
bibechana-79223	183	2	of	of	ADP
bibechana-79223	183	3	physics	physics	PROPN
bibechana-79223	183	4	:	:	PUNCT
bibechana-79223	183	5	condensed	condense	VERB
bibechana-79223	183	6	matter	matter	NOUN
bibechana-79223	183	7	.	.	PUNCT
bibechana-79223	184	1	2023;35(35):353001	2023;35(35):353001	X
bibechana-79223	184	2	.	.	PUNCT
bibechana-79223	185	1	[	[	X
bibechana-79223	185	2	16	16	NUM
bibechana-79223	185	3	]	]	X
bibechana-79223	185	4	jain	jain	PROPN
bibechana-79223	185	5	a	a	DET
bibechana-79223	185	6	,	,	PUNCT
bibechana-79223	185	7	ong	ong	PROPN
bibechana-79223	185	8	sp	sp	PROPN
bibechana-79223	185	9	,	,	PUNCT
bibechana-79223	185	10	hautier	hautier	NOUN
bibechana-79223	185	11	g	g	NOUN
bibechana-79223	185	12	,	,	PUNCT
bibechana-79223	185	13	chen	chen	PROPN
bibechana-79223	185	14	w	w	PROPN
bibechana-79223	185	15	,	,	PUNCT
bibechana-79223	185	16	richards	richard	NOUN
bibechana-79223	185	17	wd	wd	PROPN
bibechana-79223	185	18	,	,	PUNCT
bibechana-79223	185	19	dacek	dacek	PROPN
bibechana-79223	185	20	s	s	PART
bibechana-79223	185	21	,	,	PUNCT
bibechana-79223	185	22	et	et	PROPN
bibechana-79223	185	23	al	al	PROPN
bibechana-79223	185	24	.	.	PROPN
bibechana-79223	185	25	commentary	commentary	PROPN
bibechana-79223	185	26	:	:	PUNCT
bibechana-79223	185	27	the	the	DET
bibechana-79223	185	28	materials	material	NOUN
bibechana-79223	185	29	project	project	NOUN
bibechana-79223	185	30	:	:	PUNCT
bibechana-79223	185	31	a	a	DET
bibechana-79223	185	32	materials	material	NOUN
bibechana-79223	185	33	genome	genome	NOUN
bibechana-79223	185	34	approach	approach	NOUN
bibechana-79223	185	35	to	to	ADP
bibechana-79223	185	36	accelerating	accelerate	VERB
bibechana-79223	185	37	materials	material	NOUN
bibechana-79223	185	38	innovation	innovation	NOUN
bibechana-79223	185	39	.	.	PUNCT
bibechana-79223	186	1	apl	apl	NOUN
bibechana-79223	186	2	materials	material	NOUN
bibechana-79223	186	3	.	.	PUNCT
bibechana-79223	187	1	2013;1(1	2013;1(1	NUM
bibechana-79223	187	2	)	)	PUNCT
bibechana-79223	187	3	.	.	PUNCT
bibechana-79223	188	1	[	[	X
bibechana-79223	188	2	17	17	NUM
bibechana-79223	188	3	]	]	X
bibechana-79223	188	4	bhardwaj	bhardwaj	PROPN
bibechana-79223	188	5	p	p	PROPN
bibechana-79223	188	6	,	,	PUNCT
bibechana-79223	188	7	singh	singh	PROPN
bibechana-79223	188	8	s.	s.	PROPN
bibechana-79223	188	9	first	first	PROPN
bibechana-79223	188	10	principle	principle	ADJ
bibechana-79223	188	11	calculation	calculation	NOUN
bibechana-79223	188	12	of	of	ADP
bibechana-79223	188	13	structural	structural	ADJ
bibechana-79223	188	14	,	,	PUNCT
bibechana-79223	188	15	electronic	electronic	ADJ
bibechana-79223	188	16	and	and	CCONJ
bibechana-79223	188	17	elastic	elastic	ADJ
bibechana-79223	188	18	properties	property	NOUN
bibechana-79223	188	19	of	of	ADP
bibechana-79223	188	20	rare	rare	ADJ
bibechana-79223	188	21	earth	earth	NOUN
bibechana-79223	188	22	nitride	nitride	NOUN
bibechana-79223	188	23	.	.	PUNCT
bibechana-79223	189	1	mater	mater	PROPN
bibechana-79223	189	2	sci	sci	PROPN
bibechana-79223	189	3	-	-	PUNCT
bibechana-79223	189	4	poland	poland	PROPN
bibechana-79223	189	5	.	.	PUNCT
bibechana-79223	190	1	2016;34(4):715	2016;34(4):715	NUM
bibechana-79223	190	2	.	.	PUNCT
bibechana-79223	191	1	[	[	X
bibechana-79223	191	2	18	18	NUM
bibechana-79223	191	3	]	]	PUNCT
bibechana-79223	191	4	project	project	NOUN
bibechana-79223	191	5	m.	m.	NOUN
bibechana-79223	191	6	mp-987	mp-987	PROPN
bibechana-79223	191	7	:	:	PUNCT
bibechana-79223	191	8	material	material	NOUN
bibechana-79223	191	9	properties	property	NOUN
bibechana-79223	191	10	;	;	PUNCT
bibechana-79223	191	11	2025	2025	NUM
bibechana-79223	191	12	.	.	PUNCT
bibechana-79223	192	1	accessed	access	VERB
bibechana-79223	192	2	:	:	PUNCT
bibechana-79223	192	3	2025	2025	NUM
bibechana-79223	192	4	-	-	SYM
bibechana-79223	192	5	05	05	NUM
bibechana-79223	192	6	-	-	PUNCT
bibechana-79223	192	7	27	27	NUM
bibechana-79223	192	8	.	.	PUNCT
bibechana-79223	193	1	available	available	ADJ
bibechana-79223	193	2	from	from	ADP
bibechana-79223	193	3	:	:	PUNCT
bibechana-79223	193	4	https://next-gen.materialsproject.org/	https://next-gen.materialsproject.org/	ADJ
bibechana-79223	193	5	materials	material	NOUN
bibechana-79223	193	6	/	/	SYM
bibechana-79223	193	7	mp-987	mp-987	NOUN
bibechana-79223	193	8	.	.	PUNCT
bibechana-79223	194	1	[	[	X
bibechana-79223	194	2	19	19	NUM
bibechana-79223	194	3	]	]	PUNCT
bibechana-79223	194	4	pokharel	pokharel	NOUN
bibechana-79223	194	5	p	p	NOUN
bibechana-79223	194	6	,	,	PUNCT
bibechana-79223	194	7	yadav	yadav	PROPN
bibechana-79223	194	8	s	s	PROPN
bibechana-79223	194	9	,	,	PUNCT
bibechana-79223	194	10	pantha	pantha	PROPN
bibechana-79223	194	11	n	n	CCONJ
bibechana-79223	194	12	,	,	PUNCT
bibechana-79223	194	13	adhikari	adhikari	PROPN
bibechana-79223	194	14	d.	d.	PROPN
bibechana-79223	194	15	strain	strain	PROPN
bibechana-79223	194	16	-	-	PUNCT
bibechana-79223	194	17	dependent	dependent	ADJ
bibechana-79223	194	18	electronic	electronic	ADJ
bibechana-79223	194	19	,	,	PUNCT
bibechana-79223	194	20	mechanical	mechanical	ADJ
bibechana-79223	194	21	and	and	CCONJ
bibechana-79223	194	22	piezoelectric	piezoelectric	ADJ
bibechana-79223	194	23	properties	property	NOUN
bibechana-79223	194	24	of	of	ADP
bibechana-79223	194	25	zrsio3	zrsio3	NOUN
bibechana-79223	194	26	2d	2d	NUM
bibechana-79223	194	27	monolayer	monolayer	NOUN
bibechana-79223	194	28	:	:	PUNCT
bibechana-79223	194	29	a	a	DET
bibechana-79223	194	30	first	first	ADJ
bibechana-79223	194	31	principle	principle	ADJ
bibechana-79223	194	32	approach	approach	NOUN
bibechana-79223	194	33	.	.	PUNCT
bibechana-79223	195	1	journal	journal	PROPN
bibechana-79223	195	2	of	of	ADP
bibechana-79223	195	3	physics	physics	NOUN
bibechana-79223	195	4	and	and	CCONJ
bibechana-79223	195	5	chemistry	chemistry	NOUN
bibechana-79223	195	6	of	of	ADP
bibechana-79223	195	7	solids	solid	NOUN
bibechana-79223	195	8	.	.	PUNCT
bibechana-79223	196	1	2024;193:112198	2024;193:112198	NUM
bibechana-79223	196	2	.	.	PUNCT
bibechana-79223	197	1	[	[	X
bibechana-79223	197	2	20	20	NUM
bibechana-79223	197	3	]	]	PUNCT
bibechana-79223	197	4	pokharel	pokharel	NOUN
bibechana-79223	197	5	p	p	NOUN
bibechana-79223	197	6	,	,	PUNCT
bibechana-79223	197	7	yadav	yadav	PROPN
bibechana-79223	197	8	sk	sk	PROPN
bibechana-79223	197	9	,	,	PUNCT
bibechana-79223	197	10	pantha	pantha	PROPN
bibechana-79223	197	11	n	n	CCONJ
bibechana-79223	197	12	,	,	PUNCT
bibechana-79223	197	13	sharma	sharma	PROPN
bibechana-79223	197	14	b	b	PROPN
bibechana-79223	197	15	,	,	PUNCT
bibechana-79223	197	16	adhikari	adhikari	PROPN
bibechana-79223	197	17	d.	d.	PROPN
bibechana-79223	197	18	structural	structural	PROPN
bibechana-79223	197	19	,	,	PUNCT
bibechana-79223	197	20	electronic	electronic	ADJ
bibechana-79223	197	21	,	,	PUNCT
bibechana-79223	197	22	optical	optical	ADJ
bibechana-79223	197	23	,	,	PUNCT
bibechana-79223	197	24	magnetic	magnetic	ADJ
bibechana-79223	197	25	,	,	PUNCT
bibechana-79223	197	26	and	and	CCONJ
bibechana-79223	197	27	mechanical	mechanical	ADJ
bibechana-79223	197	28	properties	property	NOUN
bibechana-79223	197	29	of	of	ADP
bibechana-79223	197	30	smmno3	smmno3	PROPN
bibechana-79223	197	31	perovskite	perovskite	NOUN
bibechana-79223	197	32	with	with	ADP
bibechana-79223	197	33	europium	europium	NOUN
bibechana-79223	197	34	and	and	CCONJ
bibechana-79223	197	35	yttrium	yttrium	NOUN
bibechana-79223	197	36	doping	doping	NOUN
bibechana-79223	197	37	:	:	PUNCT
bibechana-79223	197	38	a	a	DET
bibechana-79223	197	39	first	first	ADJ
bibechana-79223	197	40	-	-	PUNCT
bibechana-79223	197	41	principles	principle	NOUN
bibechana-79223	197	42	study	study	NOUN
bibechana-79223	197	43	.	.	PUNCT
bibechana-79223	198	1	aip	aip	PROPN
bibechana-79223	198	2	advances	advance	NOUN
bibechana-79223	198	3	.	.	PUNCT
bibechana-79223	199	1	2024;14(12	2024;14(12	NUM
bibechana-79223	199	2	)	)	PUNCT
bibechana-79223	199	3	.	.	PUNCT
bibechana-79223	200	1	[	[	X
bibechana-79223	200	2	21	21	NUM
bibechana-79223	200	3	]	]	X
bibechana-79223	200	4	gupta	gupta	PROPN
bibechana-79223	200	5	pc	pc	PROPN
bibechana-79223	200	6	,	,	PUNCT
bibechana-79223	200	7	adhikari	adhikari	PROPN
bibechana-79223	200	8	r.	r.	PROPN
bibechana-79223	200	9	structural	structural	ADJ
bibechana-79223	200	10	,	,	PUNCT
bibechana-79223	200	11	elastic	elastic	ADJ
bibechana-79223	200	12	,	,	PUNCT
bibechana-79223	200	13	electronic	electronic	ADJ
bibechana-79223	200	14	and	and	CCONJ
bibechana-79223	200	15	optical	optical	ADJ
bibechana-79223	200	16	properties	property	NOUN
bibechana-79223	200	17	of	of	ADP
bibechana-79223	200	18	be_2x(x	be_2x(x	PROPN
bibechana-79223	200	19	=	=	SYM
bibechana-79223	200	20	c	c	X
bibechana-79223	200	21	,	,	PUNCT
bibechana-79223	200	22	si	si	X
bibechana-79223	200	23	,	,	PUNCT
bibechana-79223	200	24	ge	ge	PROPN
bibechana-79223	200	25	,	,	PUNCT
bibechana-79223	200	26	sn	sn	PROPN
bibechana-79223	200	27	):	):	PUNCT
bibechana-79223	200	28	first	first	ADJ
bibechana-79223	200	29	principle	principle	ADJ
bibechana-79223	200	30	study	study	NOUN
bibechana-79223	200	31	.	.	PUNCT
bibechana-79223	201	1	arxiv	arxiv	PROPN
bibechana-79223	201	2	preprint	preprint	PROPN
bibechana-79223	201	3	arxiv:211210521	arxiv:211210521	NOUN
bibechana-79223	201	4	.	.	PROPN
bibechana-79223	201	5	2021	2021	NUM
bibechana-79223	201	6	;	;	PUNCT
bibechana-79223	201	7	.	.	PUNCT
bibechana-79223	202	1	[	[	X
bibechana-79223	202	2	22	22	NUM
bibechana-79223	202	3	]	]	X
bibechana-79223	202	4	chaudhary	chaudhary	PROPN
bibechana-79223	202	5	u	u	PROPN
bibechana-79223	202	6	,	,	PUNCT
bibechana-79223	202	7	chaudhary	chaudhary	PROPN
bibechana-79223	202	8	s	s	PROPN
bibechana-79223	202	9	,	,	PUNCT
bibechana-79223	202	10	yadav	yadav	PROPN
bibechana-79223	202	11	dk	dk	PROPN
bibechana-79223	202	12	,	,	PUNCT
bibechana-79223	202	13	kaphle	kaphle	PROPN
bibechana-79223	202	14	gc	gc	PROPN
bibechana-79223	202	15	,	,	PUNCT
bibechana-79223	202	16	yadav	yadav	PROPN
bibechana-79223	202	17	sk	sk	PROPN
bibechana-79223	202	18	.	.	PROPN
bibechana-79223	202	19	first	first	ADJ
bibechana-79223	202	20	-	-	PUNCT
bibechana-79223	202	21	principles	principle	NOUN
bibechana-79223	202	22	investigation	investigation	NOUN
bibechana-79223	202	23	of	of	ADP
bibechana-79223	202	24	structural	structural	ADJ
bibechana-79223	202	25	,	,	PUNCT
bibechana-79223	202	26	elastic	elastic	ADJ
bibechana-79223	202	27	,	,	PUNCT
bibechana-79223	202	28	electronic	electronic	ADJ
bibechana-79223	202	29	,	,	PUNCT
bibechana-79223	202	30	and	and	CCONJ
bibechana-79223	202	31	optical	optical	ADJ
bibechana-79223	202	32	properties	property	NOUN
bibechana-79223	202	33	of	of	ADP
bibechana-79223	202	34	acmo3	acmo3	NOUN
bibechana-79223	202	35	(	(	PUNCT
bibechana-79223	202	36	m=	m=	X
bibechana-79223	202	37	b	b	PROPN
bibechana-79223	202	38	,	,	PUNCT
bibechana-79223	202	39	sc	sc	PROPN
bibechana-79223	202	40	)	)	PUNCT
bibechana-79223	202	41	perovskites	perovskite	NOUN
bibechana-79223	202	42	.	.	PUNCT
bibechana-79223	203	1	physica	physica	PROPN
bibechana-79223	203	2	status	status	PROPN
bibechana-79223	203	3	solidi	solidi	PROPN
bibechana-79223	203	4	(	(	PUNCT
bibechana-79223	203	5	b	b	NOUN
bibechana-79223	203	6	)	)	PUNCT
bibechana-79223	203	7	.	.	PUNCT
bibechana-79223	204	1	2025;262(5):2400574	2025;262(5):2400574	NUM
bibechana-79223	204	2	.	.	PUNCT
bibechana-79223	205	1	[	[	X
bibechana-79223	205	2	23	23	NUM
bibechana-79223	205	3	]	]	X
bibechana-79223	205	4	gao	gao	PROPN
bibechana-79223	205	5	j	j	PROPN
bibechana-79223	205	6	,	,	PUNCT
bibechana-79223	205	7	liu	liu	PROPN
bibechana-79223	205	8	qj	qj	PROPN
bibechana-79223	205	9	,	,	PUNCT
bibechana-79223	205	10	tang	tang	PROPN
bibechana-79223	205	11	b.	b.	PROPN
bibechana-79223	205	12	elastic	elastic	ADJ
bibechana-79223	205	13	stability	stability	NOUN
bibechana-79223	205	14	criteria	criterion	NOUN
bibechana-79223	205	15	of	of	ADP
bibechana-79223	205	16	seven	seven	NUM
bibechana-79223	205	17	crystal	crystal	NOUN
bibechana-79223	205	18	systems	system	NOUN
bibechana-79223	205	19	and	and	CCONJ
bibechana-79223	205	20	their	their	PRON
bibechana-79223	205	21	application	application	NOUN
bibechana-79223	205	22	under	under	ADP
bibechana-79223	205	23	pressure	pressure	NOUN
bibechana-79223	205	24	:	:	PUNCT
bibechana-79223	205	25	taking	take	VERB
bibechana-79223	205	26	carbon	carbon	NOUN
bibechana-79223	205	27	as	as	ADP
bibechana-79223	205	28	an	an	DET
bibechana-79223	205	29	example	example	NOUN
bibechana-79223	205	30	.	.	PUNCT
bibechana-79223	206	1	journal	journal	NOUN
bibechana-79223	206	2	of	of	ADP
bibechana-79223	206	3	applied	applied	ADJ
bibechana-79223	206	4	physics	physic	NOUN
bibechana-79223	206	5	.	.	PUNCT
bibechana-79223	207	1	2023;133(13	2023;133(13	PROPN
bibechana-79223	207	2	)	)	PUNCT
bibechana-79223	207	3	.	.	PUNCT
bibechana-79223	208	1	[	[	X
bibechana-79223	208	2	24	24	NUM
bibechana-79223	208	3	]	]	PUNCT
bibechana-79223	208	4	cao	cao	PROPN
bibechana-79223	208	5	y	y	PROPN
bibechana-79223	208	6	,	,	PUNCT
bibechana-79223	208	7	zhu	zhu	PROPN
bibechana-79223	208	8	j	j	PROPN
bibechana-79223	208	9	,	,	PUNCT
bibechana-79223	208	10	liu	liu	PROPN
bibechana-79223	208	11	y	y	PROPN
bibechana-79223	208	12	,	,	PUNCT
bibechana-79223	208	13	nong	nong	PROPN
bibechana-79223	208	14	z	z	PROPN
bibechana-79223	208	15	,	,	PUNCT
bibechana-79223	208	16	lai	lai	PROPN
bibechana-79223	208	17	z.	z.	PROPN
bibechana-79223	208	18	firstprinciples	firstprinciples	PROPN
bibechana-79223	208	19	studies	study	NOUN
bibechana-79223	208	20	of	of	ADP
bibechana-79223	208	21	the	the	DET
bibechana-79223	208	22	structural	structural	ADJ
bibechana-79223	208	23	,	,	PUNCT
bibechana-79223	208	24	elastic	elastic	ADJ
bibechana-79223	208	25	,	,	PUNCT
bibechana-79223	208	26	electronic	electronic	ADJ
bibechana-79223	208	27	and	and	CCONJ
bibechana-79223	208	28	thermal	thermal	ADJ
bibechana-79223	208	29	properties	property	NOUN
bibechana-79223	208	30	of	of	ADP
bibechana-79223	208	31	ni3si	ni3si	NUM
bibechana-79223	208	32	.	.	PUNCT
bibechana-79223	209	1	computational	computational	ADJ
bibechana-79223	209	2	materials	material	NOUN
bibechana-79223	209	3	science	science	NOUN
bibechana-79223	209	4	.	.	PUNCT
bibechana-79223	210	1	2013;69:40	2013;69:40	NUM
bibechana-79223	210	2	–	–	PUNCT
bibechana-79223	210	3	45	45	NUM
bibechana-79223	210	4	.	.	PUNCT
bibechana-79223	211	1	[	[	X
bibechana-79223	211	2	25	25	NUM
bibechana-79223	211	3	]	]	X
bibechana-79223	211	4	hadi	hadi	PROPN
bibechana-79223	211	5	ma	ma	PROPN
bibechana-79223	211	6	,	,	PUNCT
bibechana-79223	211	7	christopoulos	christopoulo	VERB
bibechana-79223	211	8	sr	sr	PROPN
bibechana-79223	211	9	,	,	PUNCT
bibechana-79223	211	10	chroneos	chroneos	PROPN
bibechana-79223	211	11	a	a	PRON
bibechana-79223	211	12	,	,	PUNCT
bibechana-79223	211	13	naqib	naqib	PROPN
bibechana-79223	211	14	sh	sh	PROPN
bibechana-79223	211	15	,	,	PUNCT
bibechana-79223	211	16	islam	islam	PROPN
bibechana-79223	211	17	akma	akma	PROPN
bibechana-79223	211	18	.	.	PUNCT
bibechana-79223	212	1	dft	dft	PROPN
bibechana-79223	212	2	insights	insight	NOUN
bibechana-79223	212	3	into	into	ADP
bibechana-79223	212	4	the	the	DET
bibechana-79223	212	5	electronic	electronic	ADJ
bibechana-79223	212	6	structure	structure	NOUN
bibechana-79223	212	7	,	,	PUNCT
bibechana-79223	212	8	mechanical	mechanical	ADJ
bibechana-79223	212	9	behaviour	behaviour	NOUN
bibechana-79223	212	10	,	,	PUNCT
bibechana-79223	212	11	lattice	lattice	NOUN
bibechana-79223	212	12	dynamics	dynamic	NOUN
bibechana-79223	212	13	and	and	CCONJ
bibechana-79223	212	14	defect	defect	NOUN
bibechana-79223	212	15	processes	process	NOUN
bibechana-79223	212	16	in	in	ADP
bibechana-79223	212	17	the	the	DET
bibechana-79223	212	18	first	first	ADJ
bibechana-79223	212	19	sc	sc	PROPN
bibechana-79223	212	20	-	-	PUNCT
bibechana-79223	212	21	based	base	VERB
bibechana-79223	212	22	max	max	PROPN
bibechana-79223	212	23	phase	phase	NOUN
bibechana-79223	212	24	sc2snc	sc2snc	PROPN
bibechana-79223	212	25	.	.	PUNCT
bibechana-79223	213	1	scientific	scientific	ADJ
bibechana-79223	213	2	reports	report	NOUN
bibechana-79223	213	3	.	.	PUNCT
bibechana-79223	214	1	2022;12(1):14037	2022;12(1):14037	NUM
bibechana-79223	214	2	.	.	PUNCT
bibechana-79223	215	1	[	[	X
bibechana-79223	215	2	26	26	NUM
bibechana-79223	215	3	]	]	X
bibechana-79223	215	4	jamal	jamal	PROPN
bibechana-79223	215	5	m	m	PROPN
bibechana-79223	215	6	,	,	PUNCT
bibechana-79223	215	7	asadabadi	asadabadi	NOUN
bibechana-79223	215	8	sj	sj	PROPN
bibechana-79223	215	9	,	,	PUNCT
bibechana-79223	215	10	ahmad	ahmad	PROPN
bibechana-79223	215	11	i	i	PRON
bibechana-79223	215	12	,	,	PUNCT
bibechana-79223	215	13	aliabad	aliabad	PROPN
bibechana-79223	215	14	hr	hr	PROPN
bibechana-79223	215	15	.	.	PUNCT
bibechana-79223	216	1	elastic	elastic	ADJ
bibechana-79223	216	2	constants	constant	NOUN
bibechana-79223	216	3	of	of	ADP
bibechana-79223	216	4	cubic	cubic	ADJ
bibechana-79223	216	5	crystals	crystal	NOUN
bibechana-79223	216	6	.	.	PUNCT
bibechana-79223	217	1	computational	computational	ADJ
bibechana-79223	217	2	materials	material	NOUN
bibechana-79223	217	3	science	science	NOUN
bibechana-79223	217	4	.	.	PUNCT
bibechana-79223	217	5	2014;95:592–599	2014;95:592–599	NUM
bibechana-79223	217	6	.	.	PUNCT
bibechana-79223	218	1	[	[	X
bibechana-79223	218	2	27	27	NUM
bibechana-79223	218	3	]	]	X
bibechana-79223	218	4	gaillac	gaillac	PROPN
bibechana-79223	218	5	r	r	PROPN
bibechana-79223	218	6	,	,	PUNCT
bibechana-79223	218	7	pullumbi	pullumbi	NOUN
bibechana-79223	218	8	p	p	NOUN
bibechana-79223	218	9	,	,	PUNCT
bibechana-79223	218	10	coudert	coudert	PROPN
bibechana-79223	218	11	fx	fx	PROPN
bibechana-79223	218	12	.	.	PUNCT
bibechana-79223	218	13	elate	elate	VERB
bibechana-79223	218	14	:	:	PUNCT
bibechana-79223	218	15	an	an	DET
bibechana-79223	218	16	open	open	ADJ
bibechana-79223	218	17	-	-	PUNCT
bibechana-79223	218	18	source	source	NOUN
bibechana-79223	218	19	online	online	ADJ
bibechana-79223	218	20	application	application	NOUN
bibechana-79223	218	21	for	for	ADP
bibechana-79223	218	22	analysis	analysis	NOUN
bibechana-79223	218	23	and	and	CCONJ
bibechana-79223	218	24	visualization	visualization	NOUN
bibechana-79223	218	25	of	of	ADP
bibechana-79223	218	26	elastic	elastic	ADJ
bibechana-79223	218	27	tensors	tensor	NOUN
bibechana-79223	218	28	.	.	PUNCT
bibechana-79223	219	1	journal	journal	PROPN
bibechana-79223	219	2	of	of	ADP
bibechana-79223	219	3	physics	physics	PROPN
bibechana-79223	219	4	:	:	PUNCT
bibechana-79223	219	5	condensed	condense	VERB
bibechana-79223	219	6	matter	matter	NOUN
bibechana-79223	219	7	.	.	PUNCT
bibechana-79223	220	1	2016;28(27):275201	2016;28(27):275201	X
bibechana-79223	220	2	.	.	PUNCT
bibechana-79223	220	3	https://next-gen.materialsproject.org/materials/mp-987	https://next-gen.materialsproject.org/materials/mp-987	NOUN
bibechana-79223	220	4	https://next-gen.materialsproject.org/materials/mp-987	https://next-gen.materialsproject.org/materials/mp-987	ADV
bibechana-79223	221	1	introduction	introduction	NOUN
bibechana-79223	221	2	computational	computational	ADJ
bibechana-79223	221	3	details	detail	NOUN
bibechana-79223	221	4	results	result	NOUN
bibechana-79223	221	5	and	and	CCONJ
bibechana-79223	221	6	discussion	discussion	NOUN
bibechana-79223	221	7	structural	structural	ADJ
bibechana-79223	221	8	properties	property	NOUN
bibechana-79223	221	9	vibrational	vibrational	ADJ
bibechana-79223	221	10	properties	property	NOUN
bibechana-79223	221	11	elastic	elastic	ADJ
bibechana-79223	221	12	properties	property	NOUN
bibechana-79223	221	13	electronic	electronic	ADJ
bibechana-79223	221	14	properties	property	NOUN
bibechana-79223	221	15	thermoelectric	thermoelectric	ADJ
bibechana-79223	221	16	properties	property	NOUN
bibechana-79223	221	17	conclusions	conclusion	NOUN