AdsStructure	en-ads	O1-C-O1-angle	A-rs	A-rs-average	A-rp	A-rp-average	A-rd	A-rd-average	B-rs	B-rs-average	B-rp	B-rp-average	B-rd	B-rd-average	Osurf-q-h	ip-A	ea-A	ip-B	ea-B	band-gap-surf	vbm-surf	band-gap-bulk	bulk_cohes	surf-en	A	B	O-coor-numb
MgSiO3-001-MgO_9	-0.360427089	136.2	1.351	0.2551670928	1.477	0.4839553198	1.778	1.412218149	0.945	0.1663748872	1.141	0.4692545834	1.162	0.9964515111	-0.42982218	-7.971961509	2.104212107	-7.725525285	-0.667404572	3.56450552	-6.04411043	4.3229228	-7.122237368	0.1878477146	12	14	3
MgSiO3-001-SiO2_1	-1.480018573	127.9	1.351	0.2551670928	1.477	0.4839553198	1.778	1.412218149	0.945	0.1663748872	1.141	0.4692545834	1.162	0.9964515111	-0.35434301	-7.971961509	2.104212107	-7.725525285	-0.667404572	3.94670865	-7.86309104	4.3229228	-7.122237368	0.0825389875	12	14	3
MgSiO3-001-SiO2_4	-1.043363586	132.1	1.351	0.2551670928	1.477	0.4839553198	1.778	1.412218149	0.945	0.1663748872	1.141	0.4692545834	1.162	0.9964515111	-0.35772532	-7.971961509	2.104212107	-7.725525285	-0.667404572	3.94670865	-7.86309104	4.3229228	-7.122237368	0.0825389875	12	14	3
MgSiO3-100_1	-1.508993912	130.1	1.351	0.2551670928	1.477	0.4839553198	1.778	1.412218149	0.945	0.1663748872	1.141	0.4692545834	1.162	0.9964515111	-0.41632083	-7.971961509	2.104212107	-7.725525285	-0.667404572	3.47665373	-6.38074738	4.3229228	-7.122237368	0.168424984	12	14	3
MgSiO3-100_2	-1.269332131	171.9	1.351	0.2551670928	1.477	0.4839553198	1.778	1.412218149	0.945	0.1663748872	1.141	0.4692545834	1.162	0.9964515111	-0.41577184	-7.971961509	2.104212107	-7.725525285	-0.667404572	3.47665373	-6.38074738	4.3229228	-7.122237368	0.168424984	12	14	3
MgSiO3-100_3	-1.782681834	129.8	1.351	0.2551670928	1.477	0.4839553198	1.778	1.412218149	0.945	0.1663748872	1.141	0.4692545834	1.162	0.9964515111	-0.41632083	-7.971961509	2.104212107	-7.725525285	-0.667404572	3.47665373	-6.38074738	4.3229228	-7.122237368	0.168424984	12	14	3
MgSiO3-100_5	-1.809710991	131.1	1.351	0.2551670928	1.477	0.4839553198	1.778	1.412218149	0.945	0.1663748872	1.141	0.4692545834	1.162	0.9964515111	-0.41577184	-7.971961509	2.104212107	-7.725525285	-0.667404572	3.47665373	-6.38074738	4.3229228	-7.122237368	0.168424984	12	14	3
MgTiO3-001_1	-1.086221637	127.7	1.351	0.2551670928	1.477	0.4839553198	1.778	1.412218149	1.547	0.2627722709	1.54	0.4058125697	0.518	0.4298309272	-0.34430927	-7.971961509	2.104212107	-7.1161	0.456995629	3.61444631	-5.99966276	3.57183212	-7.576979668	0.1402605086	12	22	4
MgTiO3-012_1	-1.032919452	125.3	1.351	0.2551670928	1.477	0.4839553198	1.778	1.412218149	1.547	0.2627722709	1.54	0.4058125697	0.518	0.4298309272	-0.38414879	-7.971961509	2.104212107	-7.1161	0.456995629	3.13458713	-6.23013557	3.57183212	-7.576979668	0.1286062636	12	22	4
MgTiO3-012_2	-0.748282849	132	1.351	0.2551670928	1.477	0.4839553198	1.778	1.412218149	1.547	0.2627722709	1.54	0.4058125697	0.518	0.4298309272	-0.38414879	-7.971961509	2.104212107	-7.1161	0.456995629	3.13458713	-6.23013557	3.57183212	-7.576979668	0.1286062636	12	22	4
MgTiO3-012_3	-0.528754131	132	1.351	0.2551670928	1.477	0.4839553198	1.778	1.412218149	1.547	0.2627722709	1.54	0.4058125697	0.518	0.4298309272	-0.38414879	-7.971961509	2.104212107	-7.1161	0.456995629	3.13458713	-6.23013557	3.57183212	-7.576979668	0.1286062636	12	22	4
MgTiO3-012_4	-0.354605886	133.3	1.351	0.2551670928	1.477	0.4839553198	1.778	1.412218149	1.547	0.2627722709	1.54	0.4058125697	0.518	0.4298309272	-0.33516479	-7.971961509	2.104212107	-7.1161	0.456995629	3.13458713	-6.23013557	3.57183212	-7.576979668	0.1286062636	12	22	4
MgGeO3-001_1	-0.830599032	128.8	1.351	0.2551670928	1.477	0.4839553198	1.778	1.412218149	0.924	0.1722858484	1.176	0.4179026094	1.197	0.4047694651	-0.32923936	-7.971961509	2.104212107	-7.425430628	-0.548923957	3.66705255	-5.92133535	3.63002283	-6.273266539	0.1243018932	12	32	4
MgGeO3-012_1	0.006357354005	133.7	1.351	0.2551670928	1.477	0.4839553198	1.778	1.412218149	0.924	0.1722858484	1.176	0.4179026094	1.197	0.4047694651	-0.32478704	-7.971961509	2.104212107	-7.425430628	-0.548923957	2.85655091	-6.4233095	3.63002283	-6.273266539	0.134676963	12	32	4
MgGeO3-012_4	-0.5878980061	132.8	1.351	0.2551670928	1.477	0.4839553198	1.778	1.412218149	0.924	0.1722858484	1.176	0.4179026094	1.197	0.4047694651	-0.39100754	-7.971961509	2.104212107	-7.425430628	-0.548923957	2.85655091	-6.4233095	3.63002283	-6.273266539	0.134676963	12	32	4
MgGeO3-012_5	-0.4793345031	131.9	1.351	0.2551670928	1.477	0.4839553198	1.778	1.412218149	0.924	0.1722858484	1.176	0.4179026094	1.197	0.4047694651	-0.39100754	-7.971961509	2.104212107	-7.425430628	-0.548923957	2.85655091	-6.4233095	3.63002283	-6.273266539	0.134676963	12	32	4
MgGeO3tetr-001-MgO_1	-1.952346496	125.8	1.351	0.2551670928	1.477	0.4839553198	1.778	1.412218149	0.924	0.1722858484	1.176	0.4179026094	1.197	0.4047694651	-0.44301895	-7.971961509	2.104212107	-7.425430628	-0.548923957	2.77296045	-5.182043055	2.64164952	-6.252889573	0.2295063311	12	32	3
MgGeO3tetr-001-GeO2_1	-0.5452422522	127.8	1.351	0.2551670928	1.477	0.4839553198	1.778	1.412218149	0.924	0.1722858484	1.176	0.4179026094	1.197	0.4047694651	-0.33151557	-7.971961509	2.104212107	-7.425430628	-0.548923957	2.3000132	-7.41594668	2.64164952	-6.252889573	0.2238551158	12	32	3
MgSnO3-100_1	-0.3768334122	129.4	1.351	0.2551670928	1.477	0.4839553198	1.778	1.412218149	1.064	0.2147561402	1.358	0.4069911001	1.456	0.392894886	-0.39491654	-7.971961509	2.104212107	-6.835005236	-0.592432934	0.83929782	-6.45634319	2.13095488	-6.049731179	0.1966462037	12	50	3
MgSnO3-100_2	-1.311570472	123.7	1.351	0.2551670928	1.477	0.4839553198	1.778	1.412218149	1.064	0.2147561402	1.358	0.4069911001	1.456	0.392894886	-0.39491654	-7.971961509	2.104212107	-6.835005236	-0.592432934	0.83929782	-6.45634319	2.13095488	-6.049731179	0.1966462037	12	50	3
MgSnO3-100_3	-0.406279012	174.3	1.351	0.2551670928	1.477	0.4839553198	1.778	1.412218149	1.064	0.2147561402	1.358	0.4069911001	1.456	0.392894886	-0.34998795	-7.971961509	2.104212107	-6.835005236	-0.592432934	0.83929782	-6.45634319	2.13095488	-6.049731179	0.1966462037	12	50	3
MgSnO3-100_4	-1.091386812	120.8	1.351	0.2551670928	1.477	0.4839553198	1.778	1.412218149	1.064	0.2147561402	1.358	0.4069911001	1.456	0.392894886	-0.41913901	-7.971961509	2.104212107	-6.835005236	-0.592432934	0.83929782	-6.45634319	2.13095488	-6.049731179	0.1966462037	12	50	3
MgSnO3-100_7	-0.7961949421	123	1.351	0.2551670928	1.477	0.4839553198	1.778	1.412218149	1.064	0.2147561402	1.358	0.4069911001	1.456	0.392894886	-0.34998798	-7.971961509	2.104212107	-6.835005236	-0.592432934	0.83929782	-6.45634319	2.13095488	-6.049731179	0.1966462037	12	50	4
CaSiO3-001-CaO_1	-1.52409183	118.6	1.799	0.2994682086	2.023	0.602297264	0.693	0.5703998365	0.945	0.1663748872	1.141	0.4692545834	1.162	0.9964515111	-0.3686057	-6.29233712	1.197668383	-7.725525285	-0.667404572	2.9127989	-3.700095575	3.75707833	-7.234522042	0.1486403006	20	14	6
CaSiO3-110-CaO_1	-1.115240377	118	1.799	0.2994682086	2.023	0.602297264	0.693	0.5703998365	0.945	0.1663748872	1.141	0.4692545834	1.162	0.9964515111	-0.36823233	-6.29233712	1.197668383	-7.725525285	-0.667404572	2.90808049	-3.6880095	3.75707833	-7.234522042	0.1466317925	20	14	6
CaSiO3-110-SiO2_1	-0.803560829	135.5	1.799	0.2994682086	2.023	0.602297264	0.693	1.570399837	0.945	0.1663748872	1.141	0.4692545834	1.162	0.9964515111	-0.27622284	-6.29233712	1.197668383	-7.725525285	-0.667404572	1.66581702	-5.555437275	3.75707833	-7.234522042	0.0685393141	20	14	3
CaTiO3-010-CaO_1	-2.033691962	122.5	1.799	0.2994682086	2.023	0.602297264	0.693	1.570399837	1.547	0.2627722709	1.54	0.4058125697	0.518	0.4298309272	-0.39322066	-6.29233712	1.197668383	-7.1161	0.456995629	2.61176997	-4.363792925	2.58551331	-7.866330139	0.2608416721	20	22	4
CaTiO3-010-CaO_2	-1.654731747	126.4	1.799	0.2994682086	2.023	0.602297264	0.693	1.570399837	1.547	0.2627722709	1.54	0.4058125697	0.518	0.4298309272	-0.39322066	-6.29233712	1.197668383	-7.1161	0.456995629	2.61176997	-4.363792925	2.58551331	-7.866330139	0.2608416721	20	22	4
CaTiO3-010-CaO_5	-0.1415705021	124.4	1.799	0.2994682086	2.023	0.602297264	0.693	2.570399837	1.547	0.2627722709	1.54	0.4058125697	0.518	0.4298309272	-0.29575372	-6.29233712	1.197668383	-7.1161	0.456995629	2.61176997	-4.363792925	2.58551331	-7.866330139	0.2608416721	20	22	3
CaTiO3-010-TiO2_1	-1.011173297	131.1	1.799	0.2994682086	2.023	0.602297264	0.693	2.570399837	1.547	0.2627722709	1.54	0.4058125697	0.518	0.4298309272	-0.31237116	-6.29233712	1.197668383	-7.1161	0.456995629	1.9204183	-5.703839395	2.58551331	-7.866330139	-0.0320745918	20	22	3
CaTiO3-101-CaO_1	-2.239669711	121.9	1.799	0.2994682086	2.023	0.602297264	0.693	3.570399837	1.547	0.2627722709	1.54	0.4058125697	0.518	0.4298309272	-0.38266744	-6.29233712	1.197668383	-7.1161	0.456995629	2.33899322	-4.283513615	2.58551331	-7.866330139	0.2666076489	20	22	4
CaTiO3-101-TiO2_1	-0.758874125	132.9	1.799	0.2994682086	2.023	0.602297264	0.693	3.570399837	1.547	0.2627722709	1.54	0.4058125697	0.518	0.4298309272	-0.31102617	-6.29233712	1.197668383	-7.1161	0.456995629	1.61848934	-5.640605935	2.58551331	-7.866330139	-0.0293976471	20	22	3
CaGeO3-001-CaO_1	-1.782000032	120.5	1.799	0.2994682086	2.023	0.602297264	0.693	3.570399837	0.924	0.1722858484	1.176	0.4179026094	1.197	0.4047694651	-0.38532201	-6.29233712	1.197668383	-7.425430628	-0.548923957	2.25294813	-4.2439011	2.03075759	-6.477070768	0.078890372	20	32	4
CaGeO3-001-CaO_2	-1.440418682	126.3	1.799	0.2994682086	2.023	0.602297264	0.693	4.570399837	0.924	0.1722858484	1.176	0.4179026094	1.197	0.4047694651	-0.38532201	-6.29233712	1.197668383	-7.425430628	-0.548923957	2.25294813	-4.2439011	2.03075759	-6.477070768	0.078890372	20	32	4
CaGeO3-001-GeO2_1	-0.02148804685	124.7	1.799	0.2994682086	2.023	0.602297264	0.693	4.570399837	0.924	0.1722858484	1.176	0.4179026094	1.197	0.4047694651	-0.25484354	-6.29233712	1.197668383	-7.425430628	-0.548923957	1.92934893	-7.153431205	2.03075759	-6.477070768	0.1293798732	20	32	3
CaGeO3-001-GeO2_5	-0.3366734619	128.7	1.799	0.2994682086	2.023	0.602297264	0.693	4.570399837	0.924	0.1722858484	1.176	0.4179026094	1.197	0.4047694651	-0.32065396	-6.29233712	1.197668383	-7.425430628	-0.548923957	1.92934893	-7.153431205	2.03075759	-6.477070768	0.1293798732	20	32	4
CaGeO3-110-CaO_1	-1.830853197	121	1.799	0.2994682086	2.023	0.602297264	0.693	5.570399837	0.924	0.1722858484	1.176	0.4179026094	1.197	0.4047694651	-0.38292515	-6.29233712	1.197668383	-7.425430628	-0.548923957	2.22874021	-4.180873995	2.03075759	-6.477070768	0.0825576858	20	32	4
CaGeO3-110-GeO2_2	-0.4743818771	134.2	1.799	0.2994682086	2.023	0.602297264	0.693	5.570399837	0.924	0.1722858484	1.176	0.4179026094	1.197	0.4047694651	-0.28322787	-6.29233712	1.197668383	-7.425430628	-0.548923957	1.22784921	-6.709421545	2.03075759	-6.477070768	0.1468377106	20	32	3
CaGeO3-110-GeO2_3	-0.4779497171	129.8	1.799	0.2994682086	2.023	0.602297264	0.693	5.570399837	0.924	0.1722858484	1.176	0.4179026094	1.197	0.4047694651	-0.28322787	-6.29233712	1.197668383	-7.425430628	-0.548923957	1.22784921	-6.709421545	2.03075759	-6.477070768	0.1468377106	20	32	3
CaGeO3-110-GeO2_5	-1.232054822	119.3	1.799	0.2994682086	2.023	0.602297264	0.693	6.570399837	0.924	0.1722858484	1.176	0.4179026094	1.197	0.4047694651	-0.34527466	-6.29233712	1.197668383	-7.425430628	-0.548923957	2.32525381	-7.199331465	2.03075759	-6.477070768	0.1266414726	20	32	4
CaZrO3-010_CaO_1	-1.606689392	127.3	1.799	0.2994682086	2.023	0.602297264	0.693	6.570399837	1.673	0.3002380205	1.757	0.392204342	0.847	0.4458592079	-0.43221495	-6.29233712	1.197668383	-7.44652	0.240069091	3.65942042	-4.649901505	3.97629373	-8.141880842	0.3154196927	20	40	4
CaZrO3-010_CaO_3	-1.955401017	123.5	1.799	0.2994682086	2.023	0.602297264	0.693	6.570399837	1.673	0.3002380205	1.757	0.392204342	0.847	0.4458592079	-0.43221495	-6.29233712	1.197668383	-7.44652	0.240069091	3.65942042	-4.649901505	3.97629373	-8.141880842	0.3154196927	20	40	4
CaZrO3-010_ZrO2_1	-1.353234002	130	1.799	0.2994682086	2.023	0.602297264	0.693	7.570399837	1.673	0.3002380205	1.757	0.392204342	0.847	0.4458592079	-0.37021624	-6.29233712	1.197668383	-7.44652	0.240069091	3.4748918	-5.470102795	3.97629373	-8.141880842	-0.0533912969	20	40	3
CaZrO3-101-CaO_1	-1.601190372	125.8	1.799	0.2994682086	2.023	0.602297264	0.693	7.570399837	1.673	0.3002380205	1.757	0.392204342	0.847	0.4458592079	-0.42729882	-6.29233712	1.197668383	-7.44652	0.240069091	3.32262771	-4.364479185	3.97629373	-8.141880842	0.3246326417	20	40	4
CaZrO3-101-CaO_2	-2.051432742	124.9	1.799	0.2994682086	2.023	0.602297264	0.693	7.570399837	1.673	0.3002380205	1.757	0.392204342	0.847	0.4458592079	-0.42729882	-6.29233712	1.197668383	-7.44652	0.240069091	3.32262771	-4.364479185	3.97629373	-8.141880842	0.3246326417	20	40	4
CaZrO3-101-CaO_3	-1.473862332	127.3	1.799	0.2994682086	2.023	0.602297264	0.693	8.570399837	1.673	0.3002380205	1.757	0.392204342	0.847	0.4458592079	-0.42550863	-6.29233712	1.197668383	-7.44652	0.240069091	3.32262771	-4.364479185	3.97629373	-8.141880842	0.3246326417	20	40	4
CaZrO3-101-ZrO2_1	-1.146916927	131.7	1.799	0.2994682086	2.023	0.602297264	0.693	8.570399837	1.673	0.3002380205	1.757	0.392204342	0.847	0.4458592079	-0.36957314	-6.29233712	1.197668383	-7.44652	0.240069091	3.33923049	-5.39629779	3.97629373	-8.141880842	-0.05135058	20	40	3
CaSnO3-001-CaO_1	-1.696020247	124	1.799	0.2994682086	2.023	0.602297264	0.693	8.570399837	1.064	0.2147561402	1.358	0.4069911001	1.456	0.392894886	-0.42651762	-6.29233712	1.197668383	-6.835005236	-0.592432934	2.20656984	-4.61743597	2.31480347	-6.353150983	0.0938392486	20	50	4
CaSnO3-001-CaO_2	-1.366829812	128.2	1.799	0.2994682086	2.023	0.602297264	0.693	9.570399837	1.064	0.2147561402	1.358	0.4069911001	1.456	0.392894886	-0.42651762	-6.29233712	1.197668383	-6.835005236	-0.592432934	2.20656984	-4.61743597	2.31480347	-6.353150983	0.0938392486	20	50	4
CaSnO3-001-SnO2_2	-0.7103239918	131.8	1.799	0.2994682086	2.023	0.602297264	0.693	9.570399837	1.064	0.2147561402	1.358	0.4069911001	1.456	0.392894886	-0.33228251	-6.29233712	1.197668383	-6.835005236	-0.592432934	1.57159079	-6.481918725	2.31480347	-6.353150983	0.159741001	20	50	3
SrSiO3-001-SrO_1	-1.542133787	119.2	1.96	0.3536175017	2.261	0.569117937	1.057	0.560113543	0.945	0.1663748872	1.141	0.4692545834	1.162	0.9964515111	-0.38842696	-5.857439886	1.154257121	-7.725525285	-0.667404572	2.12613682	-2.73474597	2.49460841	-7.089627135	0.1388973329	38	14	6
SrSiO3-001-SiO2_3	-3.353507377	124.1	1.96	0.3536175017	2.261	0.569117937	1.057	0.560113543	0.945	0.1663748872	1.141	0.4692545834	1.162	0.9964515111	-0.28492454	-5.857439886	1.154257121	-7.725525285	-0.667404572	0.86823027	-5.7912921	2.49460841	-7.089627135	0.0747248757	38	14	3
SrTiO3-001-SrO_1	-1.973478712	121.9	1.96	0.3536175017	2.261	0.569117937	1.057	0.560113543	1.547	0.2627722709	1.54	0.4058125697	0.518	0.4298309272	-0.40021751	-5.857439886	1.154257121	-7.1161	0.456995629	1.8905116	-3.794779495	2.21044784	-7.805889958	0.2683367229	38	22	6
SrTiO3-001-TiO2_2	-1.274512132	130.1	1.96	0.3536175017	2.261	0.569117937	1.057	0.560113543	1.547	0.2627722709	1.54	0.4058125697	0.518	0.4298309272	-0.32946282	-5.857439886	1.154257121	-7.1161	0.456995629	1.44216487	-5.396930765	2.21044784	-7.805889958	-0.0325196406	38	22	3
SrGeO3-100-SrO_1	-1.487300352	119.2	1.96	0.3536175017	2.261	0.569117937	1.057	0.560113543	0.924	0.1722858484	1.176	0.4179026094	1.197	0.4047694651	-0.39220996	-5.857439886	1.154257121	-7.425430628	-0.548923957	0.84705246	-3.50971018	0.63660875	-6.368853526	0.0638394278	38	32	5
SrGeO3-100-SrO_2	-0.9355818719	129.7	1.96	0.3536175017	2.261	0.569117937	1.057	0.560113543	0.924	0.1722858484	1.176	0.4179026094	1.197	0.4047694651	-0.39220996	-5.857439886	1.154257121	-7.425430628	-0.548923957	0.84705246	-3.50971018	0.63660875	-6.368853526	0.0638394278	38	32	5
SrGeO3-100-GeO2_2	-1.079820767	130.1	1.96	0.3536175017	2.261	0.569117937	1.057	0.560113543	0.924	0.1722858484	1.176	0.4179026094	1.197	0.4047694651	-0.29233128	-5.857439886	1.154257121	-7.425430628	-0.548923957	0.01303699	-5.93240423	0.63660875	-6.368853526	0.1436869644	38	32	3
SrZrO3-001-SrO_1	-1.996855542	125.6	1.96	0.3536175017	2.261	0.569117937	1.057	0.560113543	1.673	0.3002380205	1.757	0.392204342	0.847	0.4458592079	-0.44540459	-5.857439886	1.154257121	-7.44652	0.240069091	3.30648563	-4.149899785	3.70148091	-8.076360921	0.3282360221	38	40	4
SrZrO3-001-SrO_3	-2.156592747	123.1	1.96	0.3536175017	2.261	0.569117937	1.057	0.560113543	1.673	0.3002380205	1.757	0.392204342	0.847	0.4458592079	-0.44543512	-5.857439886	1.154257121	-7.44652	0.240069091	3.30648563	-4.149899785	3.70148091	-8.076360921	0.3282360221	38	40	4
SrZrO3-001-SrO_4	-1.923940183	122.9	1.96	0.3536175017	2.261	0.569117937	1.057	0.560113543	1.673	0.3002380205	1.757	0.392204342	0.847	0.4458592079	-0.44540461	-5.857439886	1.154257121	-7.44652	0.240069091	3.30648563	-4.149899785	3.70148091	-8.076360921	0.3282360221	38	40	4
SrZrO3-001-ZrO2_2	-1.704877197	129.2	1.96	0.3536175017	2.261	0.569117937	1.057	0.560113543	1.673	0.3002380205	1.757	0.392204342	0.847	0.4458592079	-0.37261927	-5.857439886	1.154257121	-7.44652	0.240069091	3.00505741	-4.943193035	3.70148091	-8.076360921	-0.0613465767	38	40	3
SrZrO3-110-SrO_1	-2.265979952	122.1	1.96	0.3536175017	2.261	0.569117937	1.057	0.560113543	1.673	0.3002380205	1.757	0.392204342	0.847	0.4458592079	-0.44169623	-5.857439886	1.154257121	-7.44652	0.240069091	3.19955471	-4.074458365	3.70148091	-8.076360921	0.3304740549	38	40	4
SrZrO3-110-SrO_3-1	-2.087804662	123.7	1.96	0.3536175017	2.261	0.569117937	1.057	0.560113543	1.673	0.3002380205	1.757	0.392204342	0.847	0.4458592079	-0.44408795	-5.857439886	1.154257121	-7.44652	0.240069091	3.19955471	-4.074458365	3.70148091	-8.076360921	0.3304740549	38	40	4
SrZrO3-110-SrO_3-2	-1.945729672	123.8	1.96	0.3536175017	2.261	0.569117937	1.057	0.560113543	1.673	0.3002380205	1.757	0.392204342	0.847	0.4458592079	-0.44411084	-5.857439886	1.154257121	-7.44652	0.240069091	3.19955471	-4.074458365	3.70148091	-8.076360921	0.3304740549	38	40	4
SrZrO3-110-ZrO2_2	-1.409313747	130.9	1.96	0.3536175017	2.261	0.569117937	1.057	0.560113543	1.673	0.3002380205	1.757	0.392204342	0.847	0.4458592079	-0.37491983	-5.857439886	1.154257121	-7.44652	0.240069091	3.03313503	-4.937487865	3.70148091	-8.076360921	-0.0616748776	38	40	3
SrSnO3-001-SrO_1	-1.801720122	123.7	1.96	0.3536175017	2.261	0.569117937	1.057	0.560113543	1.064	0.2147561402	1.358	0.4069911001	1.456	0.392894886	-0.43517368	-5.857439886	1.154257121	-6.835005236	-0.592432934	1.96279774	-4.145746915	1.72250576	-6.267070552	0.0992757917	38	50	4
SrSnO3-001-SrO_2	-1.557545172	126.8	1.96	0.3536175017	2.261	0.569117937	1.057	0.560113543	1.064	0.2147561402	1.358	0.4069911001	1.456	0.392894886	-0.43517368	-5.857439886	1.154257121	-6.835005236	-0.592432934	1.96279774	-4.145746915	1.72250576	-6.267070552	0.0992757917	38	50	4
SrSnO3-001-SnO2_2	-1.021728777	130.8	1.96	0.3536175017	2.261	0.569117937	1.057	0.560113543	1.064	0.2147561402	1.358	0.4069911001	1.456	0.392894886	-0.33665433	-5.857439886	1.154257121	-6.835005236	-0.592432934	1.06318802	-6.078554995	1.72250576	-6.267070552	0.1558868018	38	50	3
SrSnO3-110-SrO_1	-1.820708357	124.9	1.96	0.3536175017	2.261	0.569117937	1.057	0.560113543	1.064	0.2147561402	1.358	0.4069911001	1.456	0.392894886	-0.43430329	-5.857439886	1.154257121	-6.835005236	-0.592432934	1.92904996	-4.06743767	1.72250576	-6.267070552	0.1022588954	38	50	4
SrSnO3-110-SrO_4	-1.595520647	126.3	1.96	0.3536175017	2.261	0.569117937	1.057	0.560113543	1.064	0.2147561402	1.358	0.4069911001	1.456	0.392894886	-0.43430329	-5.857439886	1.154257121	-6.835005236	-0.592432934	1.92904996	-4.06743767	1.72250576	-6.267070552	0.1022588954	38	50	4
SrSnO3-110-SrO_6-1	-2.040934302	122.5	1.96	0.3536175017	2.261	0.569117937	1.057	0.560113543	1.064	0.2147561402	1.358	0.4069911001	1.456	0.392894886	-0.43295082	-5.857439886	1.154257121	-6.835005236	-0.592432934	1.92904996	-4.06743767	1.72250576	-6.267070552	0.1022588954	38	50	4
SrSnO3-110-SnO2_1	-1.061072192	130.9	1.96	0.3536175017	2.261	0.569117937	1.057	0.560113543	1.064	0.2147561402	1.358	0.4069911001	1.456	0.392894886	-0.34524822	-5.857439886	1.154257121	-6.835005236	-0.592432934	0.94404352	-5.96784676	1.72250576	-6.267070552	0.1563720731	38	50	3
BaSiO3-100_1	-0.5105382422	131.7	2.261	0.6103629892	2.485	0.377739258	1.491	0.6096290501	0.945	0.1663748872	1.141	0.4692545834	1.162	0.9964515111	-0.41578614	-5.676921633	0.767672327	-7.725525285	-0.667404572	3.31392392	-5.00385911	4.37541939	-7.220946407	0.0706272469	56	14	4
BaSiO3-100_4	-0.9742611119	130.5	2.261	0.6103629892	2.485	0.377739258	1.491	0.6096290501	0.945	0.1663748872	1.141	0.4692545834	1.162	0.9964515111	-0.37988423	-5.676921633	0.767672327	-7.725525285	-0.667404572	3.31392392	-5.00385911	4.37541939	-7.220946407	0.0706272469	56	14	4
BaSiO3-101_1	-2.645942312	123.7	2.261	0.6103629892	2.485	0.377739258	1.491	0.6096290501	0.945	0.1663748872	1.141	0.4692545834	1.162	0.9964515111	-0.57055421	-5.676921633	0.767672327	-7.725525285	-0.667404572	2.30357468	-4.19476099	4.37541939	-7.220946407	0.3459824404	56	14	4
BaSiO3-101_2	-1.962198102	129.7	2.261	0.6103629892	2.485	0.377739258	1.491	0.6096290501	0.945	0.1663748872	1.141	0.4692545834	1.162	0.9964515111	-0.36813691	-5.676921633	0.767672327	-7.725525285	-0.667404572	1.88643749	-4.09297309	4.37541939	-7.220946407	0.4043839405	56	14	3
BaSiO3-101_4	-1.105031452	126.2	2.261	0.6103629892	2.485	0.377739258	1.491	0.6096290501	0.945	0.1663748872	1.141	0.4692545834	1.162	0.9964515111	-0.36813691	-5.676921633	0.767672327	-7.725525285	-0.667404572	1.88643749	-4.09297309	4.37541939	-7.220946407	0.4043839405	56	14	3
BaSiO3-101_5	-1.000700212	124.3	2.261	0.6103629892	2.485	0.377739258	1.491	0.6096290501	0.945	0.1663748872	1.141	0.4692545834	1.162	0.9964515111	-0.40652985	-5.676921633	0.767672327	-7.725525285	-0.667404572	1.88643749	-4.09297309	4.37541939	-7.220946407	0.4043839405	56	14	3
BaSiO3-101_7	-1.537203122	127.3	2.261	0.6103629892	2.485	0.377739258	1.491	0.6096290501	0.945	0.1663748872	1.141	0.4692545834	1.162	0.9964515111	-0.40652985	-5.676921633	0.767672327	-7.725525285	-0.667404572	1.88643749	-4.09297309	4.37541939	-7.220946407	0.4043839405	56	14	3
BaSiO3-101_10	-2.666130432	124.3	2.261	0.6103629892	2.485	0.377739258	1.491	0.6096290501	0.945	0.1663748872	1.141	0.4692545834	1.162	0.9964515111	-0.55577165	-5.676921633	0.767672327	-7.725525285	-0.667404572	2.45894072	-4.25498473	4.37541939	-7.220946407	0.3737908226	56	14	4
BaTiO3-001-BaO_1	-1.690296342	129.4	2.261	0.6103629892	2.485	0.377739258	1.491	0.6096290501	1.547	0.2627722709	1.54	0.4058125697	0.518	0.4298309272	-0.40340148	-5.676921633	0.767672327	-7.1161	0.456995629	2.27615142	-3.130654745	2.60466276	-7.637304539	0.2743833469	56	22	6
BaTiO3-001-TiO2_3	-1.473819012	130.4	2.261	0.6103629892	2.485	0.377739258	1.491	0.6096290501	1.547	0.2627722709	1.54	0.4058125697	0.518	0.4298309272	-0.32379312	-5.676921633	0.767672327	-7.1161	0.456995629	1.65596782	-5.71974844	2.60466276	-7.637304539	-0.0448354827	56	22	3
BaZrO3-001-BaO_3	-1.990172082	122.9	2.261	0.6103629892	2.485	0.377739258	1.491	0.6096290501	1.673	0.3002380205	1.757	0.392204342	0.847	0.4458592079	-0.43682394	-5.676921633	0.767672327	-7.44652	0.240069091	2.96002196	-3.74398763	3.16306398	-7.942468929	0.338817676	56	40	4
BaZrO3-001-ZrO2_1	-1.884011087	127.8	2.261	0.6103629892	2.485	0.377739258	1.491	0.6096290501	1.673	0.3002380205	1.757	0.392204342	0.847	0.4458592079	-0.37822992	-5.676921633	0.767672327	-7.44652	0.240069091	2.58299667	-4.79278272	3.16306398	-7.942468929	-0.077338137	56	40	3
BaZrO3-110-BaO_3	-1.857430382	123	2.261	0.6103629892	2.485	0.377739258	1.491	0.6096290501	1.673	0.3002380205	1.757	0.392204342	0.847	0.4458592079	-0.4380714	-5.676921633	0.767672327	-7.44652	0.240069091	2.94702493	-3.744016525	3.16306398	-7.942468929	0.339209208	56	40	4
BaZrO3-110-ZrO2_1	-1.626223172	129.3	2.261	0.6103629892	2.485	0.377739258	1.491	0.6096290501	1.673	0.3002380205	1.757	0.392204342	0.847	0.4458592079	-0.37873119	-5.676921633	0.767672327	-7.44652	0.240069091	2.57932168	-4.794266475	3.16306398	-7.942468929	-0.0766684909	56	40	3
BaSnO3-001-BaO_1	-1.499869642	123.7	2.261	0.6103629892	2.485	0.377739258	1.491	0.6096290501	1.064	0.2147561402	1.358	0.4069911001	1.456	0.392894886	-0.42488969	-5.676921633	0.767672327	-6.835005236	-0.592432934	1.02973532	-3.78501458	0.62223158	-6.105215213	0.0769385868	56	50	6
BaSnO3-001-SnO2_1	-1.280451887	129.3	2.261	0.6103629892	2.485	0.377739258	1.491	0.6096290501	1.064	0.2147561402	1.358	0.4069911001	1.456	0.392894886	-0.33305621	-5.676921633	0.767672327	-6.835005236	-0.592432934	0.26070229	-5.640970105	0.62223158	-6.105215213	0.1092081556	56	50	3