10 10 1 2
0.3480782E+02 0.7895820E-09 0.7895820E-09 0.7895820E-09 0.5000000E-15
1.000000000000000E-004
CAR
(Cs2AgBiBr6)4 (Fm-3m) ~ Cs2AgBiBr6_mp-1
86 3 100
0.0000000E+00 0.0000000E+00 0.0000000E+00 0.1250000E+00
1 -24.534471892 -24.534483906 1.000000 1.000000
2 -24.534471197 -24.534483418 1.000000 1.000000
3 -24.484932515 -24.484942378 1.000000 1.000000
4 -24.484927408 -24.484938081 1.000000 1.000000
5 -24.484892332 -24.484902375 1.000000 1.000000
6 -21.706790477 -21.706790207 1.000000 1.000000
7 -21.698276195 -21.698275913 1.000000 1.000000
8 -15.644576952 -15.644564144 1.000000 1.000000
9 -14.946172777 -14.946145395 1.000000 1.000000
10 -14.946170935 -14.946143664 1.000000 1.000000
11 -14.946167355 -14.946139504 1.000000 1.000000
12 -14.716812843 -14.716782988 1.000000 1.000000
13 -14.716810906 -14.716780644 1.000000 1.000000
14 -10.659160611 -10.659216648 1.000000 1.000000
15 -7.641542304 -7.641542996 1.000000 1.000000
16 -7.641478481 -7.641479643 1.000000 1.000000
17 -7.641477355 -7.641478784 1.000000 1.000000
18 -7.563494006 -7.563494679 1.000000 1.000000
19 -7.563431509 -7.563432655 1.000000 1.000000
20 -7.563430340 -7.563431793 1.000000 1.000000
21 -4.123245862 -4.123252009 1.000000 1.000000
22 -4.123242940 -4.123248898 1.000000 1.000000
23 -4.123241413 -4.123248374 1.000000 1.000000
24 -4.015964811 -4.015942426 1.000000 1.000000
25 -4.015963896 -4.015941617 1.000000 1.000000
26 -3.467060710 -3.467053528 1.000000 1.000000
27 -3.467048617 -3.467042069 1.000000 1.000000
28 -3.467045124 -3.467038429 1.000000 1.000000
29 -2.577281351 -2.577253032 1.000000 1.000000
30 -1.926548052 -1.926540166 1.000000 1.000000
31 -1.926546382 -1.926538287 1.000000 1.000000
32 -1.926545507 -1.926537538 1.000000 1.000000
33 -1.552050955 -1.552035595 1.000000 1.000000
34 -1.552002795 -1.551987006 1.000000 1.000000
35 -1.552001946 -1.551985835 1.000000 1.000000
36 -1.282361654 -1.282342256 1.000000 1.000000
37 -1.282360525 -1.282340796 1.000000 1.000000
38 -1.282346068 -1.282324741 1.000000 1.000000
39 -0.855991403 -0.855972229 1.000000 1.000000
40 -0.855982550 -0.855963103 1.000000 1.000000
41 -0.855980877 -0.855961826 1.000000 1.000000
42 -0.144123798 -0.144089214 1.000000 1.000000
43 -0.144122324 -0.144088070 1.000000 1.000000
44 4.338440585 4.338395545 0.000000 0.000000
45 4.338483685 4.338438050 0.000000 0.000000
46 4.338489953 4.338444046 0.000000 0.000000
47 5.932042045 5.932034920 0.000000 0.000000
48 6.746397361 6.746393224 0.000000 0.000000
49 6.746398870 6.746394718 0.000000 0.000000
50 7.490536416 7.490525917 0.000000 0.000000
51 7.668392949 7.668377585 0.000000 0.000000
52 7.668445260 7.668430045 0.000000 0.000000
53 7.668447743 7.668432062 0.000000 0.000000
54 8.017946758 8.017950873 0.000000 0.000000
55 8.051795808 8.051785627 0.000000 0.000000
56 8.051796378 8.051786208 0.000000 0.000000
57 8.051915971 8.051906241 0.000000 0.000000
58 9.652580589 9.652578108 0.000000 0.000000
59 9.652580603 9.652578267 0.000000 0.000000
60 10.925901214 10.925882463 0.000000 0.000000
61 10.925901774 10.925882535 0.000000 0.000000
62 10.925916078 10.925897364 0.000000 0.000000
63 11.505408153 11.505396198 0.000000 0.000000
64 11.505775590 11.505765869 0.000000 0.000000
65 11.505777942 11.505767947 0.000000 0.000000
66 11.813125857 11.813128258 0.000000 0.000000
67 11.813189446 11.813192080 0.000000 0.000000
68 11.813191802 11.813194154 0.000000 0.000000
69 12.339452515 12.339454623 0.000000 0.000000
70 12.339531273 12.339531730 0.000000 0.000000
71 12.339539437 12.339539404 0.000000 0.000000
72 13.896077109 13.896070893 0.000000 0.000000
73 13.896078922 13.896073680 0.000000 0.000000
74 13.938639124 13.938630123 0.000000 0.000000
75 13.938736935 13.938727568 0.000000 0.000000
76 13.938738396 13.938729733 0.000000 0.000000
77 14.114071643 14.114046544 0.000000 0.000000
78 14.293831307 14.293822715 0.000000 0.000000
79 14.732958936 14.732941481 0.000000 0.000000
80 14.733019257 14.732973436 0.000000 0.000000
81 14.733029709 14.733046135 0.000000 0.000000
82 15.310771425 15.311238561 0.000000 0.000000
83 15.310797336 15.313221392 0.000000 0.000000
84 15.320740963 15.317988902 0.000000 0.000000
85 16.240594443 16.232633765 0.000000 0.000000
86 16.269701462 16.277629717 0.000000 0.000000
87 16.610835138 16.611607861 0.000000 0.000000
88 16.622254251 16.623655356 0.000000 0.000000
89 16.665632572 16.643787454 0.000000 0.000000
90 17.039126267 17.045173681 0.000000 0.000000
91 17.093586486 17.071802013 0.000000 0.000000
92 17.113961836 17.142805221 0.000000 0.000000
93 17.143650269 17.241489637 0.000000 0.000000
94 17.265576580 17.277877637 0.000000 0.000000
95 17.339769730 17.315043180 0.000000 0.000000
96 17.458095865 17.357902520 0.000000 0.000000
97 17.664714248 17.651085290 0.000000 0.000000
98 17.800273061 17.872575706 0.000000 0.000000
99 18.162341097 18.101245516 0.000000 0.000000
100 18.329412596 18.568059963 0.000000 0.000000
0.5000000E+00 0.0000000E+00 0.0000000E+00 0.5000000E+00
1 -24.534432985 -24.534445000 1.000000 1.000000
2 -24.534431533 -24.534443751 1.000000 1.000000
3 -24.485070011 -24.485079872 1.000000 1.000000
4 -24.485017910 -24.485028630 1.000000 1.000000
5 -24.484985203 -24.484995205 1.000000 1.000000
6 -21.702068571 -21.702068307 1.000000 1.000000
7 -21.702067186 -21.702066911 1.000000 1.000000
8 -15.497578062 -15.497566693 1.000000 1.000000
9 -15.163683315 -15.163656249 1.000000 1.000000
10 -14.893831651 -14.893804061 1.000000 1.000000
11 -14.893829297 -14.893801771 1.000000 1.000000
12 -14.776525276 -14.776495328 1.000000 1.000000
13 -14.776522476 -14.776492615 1.000000 1.000000
14 -10.499344473 -10.499399984 1.000000 1.000000
15 -7.574441050 -7.574441596 1.000000 1.000000
16 -7.574376880 -7.574378140 1.000000 1.000000
17 -7.569952260 -7.569952749 1.000000 1.000000
18 -7.569904541 -7.569905836 1.000000 1.000000
19 -7.501811201 -7.501811884 1.000000 1.000000
20 -7.501544013 -7.501544742 1.000000 1.000000
21 -4.860045836 -4.860045189 1.000000 1.000000
22 -4.625308038 -4.625302443 1.000000 1.000000
23 -4.625292568 -4.625286766 1.000000 1.000000
24 -3.452548869 -3.452540983 1.000000 1.000000
25 -3.414562013 -3.414555091 1.000000 1.000000
26 -3.414508248 -3.414500905 1.000000 1.000000
27 -2.612917466 -2.612907437 1.000000 1.000000
28 -2.555889227 -2.555859557 1.000000 1.000000
29 -2.555872365 -2.555843314 1.000000 1.000000
30 -2.118046157 -2.118052906 1.000000 1.000000
31 -2.117895485 -2.117901988 1.000000 1.000000
32 -2.037386388 -2.037372206 1.000000 1.000000
33 -2.037354699 -2.037340740 1.000000 1.000000
34 -1.846880917 -1.846870617 1.000000 1.000000
35 -1.583142183 -1.583129812 1.000000 1.000000
36 -1.583094645 -1.583082913 1.000000 1.000000
37 -1.231350128 -1.231331300 1.000000 1.000000
38 -1.218349677 -1.218333364 1.000000 1.000000
39 -1.175454408 -1.175431338 1.000000 1.000000
40 -1.175450135 -1.175424852 1.000000 1.000000
41 -0.865541592 -0.865504418 1.000000 1.000000
42 -0.858118448 -0.858104499 1.000000 1.000000
43 -0.858074487 -0.858058916 1.000000 1.000000
44 3.415665424 3.415609802 0.000000 0.000000
45 5.824482157 5.824452251 0.000000 0.000000
46 5.824524849 5.824495647 0.000000 0.000000
47 7.301251741 7.301245035 0.000000 0.000000
48 7.410306542 7.410302049 0.000000 0.000000
49 7.752367399 7.752357713 0.000000 0.000000
50 7.752919416 7.752910649 0.000000 0.000000
51 7.919991593 7.919986865 0.000000 0.000000
52 7.920376182 7.920371898 0.000000 0.000000
53 8.640862927 8.640844164 0.000000 0.000000
54 8.849549428 8.849544616 0.000000 0.000000
55 8.849757586 8.849752905 0.000000 0.000000
56 9.044012871 9.044009376 0.000000 0.000000
57 9.208300334 9.208297164 0.000000 0.000000
58 9.208691582 9.208688645 0.000000 0.000000
59 9.497092031 9.497084135 0.000000 0.000000
60 9.691012206 9.691011590 0.000000 0.000000
61 10.185163967 10.185162667 0.000000 0.000000
62 10.639868523 10.639863121 0.000000 0.000000
63 10.639905260 10.639898181 0.000000 0.000000
64 10.642314970 10.642310902 0.000000 0.000000
65 10.949409290 10.949390082 0.000000 0.000000
66 10.949417797 10.949397980 0.000000 0.000000
67 11.521844035 11.521839834 0.000000 0.000000
68 11.522015466 11.522010047 0.000000 0.000000
69 11.729948869 11.729939868 0.000000 0.000000
70 11.730163721 11.730156280 0.000000 0.000000
71 11.882941390 11.882937995 0.000000 0.000000
72 11.883248115 11.883245459 0.000000 0.000000
73 12.100597957 12.100585189 0.000000 0.000000
74 12.753831654 12.753810938 0.000000 0.000000
75 13.060025136 13.060009430 0.000000 0.000000
76 13.456114845 13.456104692 0.000000 0.000000
77 13.456273901 13.456265043 0.000000 0.000000
78 13.485632374 13.485626027 0.000000 0.000000
79 13.485663391 13.485657201 0.000000 0.000000
80 13.623065509 13.623069070 0.000000 0.000000
81 15.005339173 15.005337280 0.000000 0.000000
82 15.048646979 15.048638241 0.000000 0.000000
83 15.461918369 15.461789721 0.000000 0.000000
84 15.462493440 15.462281996 0.000000 0.000000
85 15.482019734 15.482053502 0.000000 0.000000
86 15.486052928 15.482112930 0.000000 0.000000
87 16.192990476 16.191184729 0.000000 0.000000
88 16.196513991 16.193855660 0.000000 0.000000
89 16.495279975 16.493608362 0.000000 0.000000
90 16.503701900 16.522260308 0.000000 0.000000
91 16.644801900 16.661614571 0.000000 0.000000
92 17.123531239 17.100650751 0.000000 0.000000
93 17.612884201 17.578556640 0.000000 0.000000
94 17.811334946 17.783065070 0.000000 0.000000
95 17.906747757 17.909102630 0.000000 0.000000
96 18.199840615 18.224972670 0.000000 0.000000
97 18.305921728 18.327072419 0.000000 0.000000
98 18.471450212 18.365387793 0.000000 0.000000
99 18.649355845 18.563266283 0.000000 0.000000
100 18.857623098 18.683282188 0.000000 0.000000
0.5000000E+00 0.5000000E+00 0.0000000E+00 0.3750000E+00
1 -24.534429931 -24.534442099 1.000000 1.000000
2 -24.534318751 -24.534330814 1.000000 1.000000
3 -24.485100849 -24.485110559 1.000000 1.000000
4 -24.485075141 -24.485085560 1.000000 1.000000
5 -24.484861481 -24.484871938 1.000000 1.000000
6 -21.703252011 -21.703251747 1.000000 1.000000
7 -21.700551837 -21.700551562 1.000000 1.000000
8 -15.490413249 -15.490401583 1.000000 1.000000
9 -14.958516543 -14.958487680 1.000000 1.000000
10 -14.956205918 -14.956179036 1.000000 1.000000
11 -14.956202926 -14.956175110 1.000000 1.000000
12 -14.952052786 -14.952025233 1.000000 1.000000
13 -14.712826321 -14.712796290 1.000000 1.000000
14 -10.497607977 -10.497662927 1.000000 1.000000
15 -7.564984099 -7.564984643 1.000000 1.000000
16 -7.564942870 -7.564943820 1.000000 1.000000
17 -7.525460716 -7.525461372 1.000000 1.000000
18 -7.525417200 -7.525418253 1.000000 1.000000
19 -7.505804196 -7.505804719 1.000000 1.000000
20 -7.497131523 -7.497132360 1.000000 1.000000
21 -4.019088079 -4.019094339 1.000000 1.000000
22 -4.019081524 -4.019088922 1.000000 1.000000
23 -4.018402926 -4.018380616 1.000000 1.000000
24 -3.811943662 -3.811918956 1.000000 1.000000
25 -3.806122353 -3.806129223 1.000000 1.000000
26 -3.607995071 -3.607988459 1.000000 1.000000
27 -3.425151919 -3.425126304 1.000000 1.000000
28 -3.374202274 -3.374195038 1.000000 1.000000
29 -3.374195301 -3.374188697 1.000000 1.000000
30 -2.285625539 -2.285613019 1.000000 1.000000
31 -2.136146105 -2.136139684 1.000000 1.000000
32 -1.849261224 -1.849249373 1.000000 1.000000
33 -1.849260114 -1.849248072 1.000000 1.000000
34 -1.813492230 -1.813482505 1.000000 1.000000
35 -1.813489775 -1.813480594 1.000000 1.000000
36 -1.742104260 -1.742089607 1.000000 1.000000
37 -1.484915362 -1.484898003 1.000000 1.000000
38 -1.484882246 -1.484862407 1.000000 1.000000
39 -1.330607025 -1.330592173 1.000000 1.000000
40 -1.330602615 -1.330587654 1.000000 1.000000
41 -0.873783678 -0.873764608 1.000000 1.000000
42 -0.151633631 -0.151599508 1.000000 1.000000
43 0.682135013 0.682173939 1.000000 1.000000
44 4.871042649 4.870997816 0.000000 0.000000
45 4.871065111 4.871020261 0.000000 0.000000
46 5.261983846 5.261940667 0.000000 0.000000
47 7.281898147 7.281892870 0.000000 0.000000
48 7.618862029 7.618862011 0.000000 0.000000
49 8.107130924 8.107131589 0.000000 0.000000
50 8.254795291 8.254791700 0.000000 0.000000
51 8.334524751 8.334521880 0.000000 0.000000
52 8.335649683 8.335641451 0.000000 0.000000
53 8.674545833 8.674537489 0.000000 0.000000
54 9.072740026 9.072731080 0.000000 0.000000
55 9.359811616 9.359801276 0.000000 0.000000
56 9.359844213 9.359833784 0.000000 0.000000
57 9.470006302 9.469993149 0.000000 0.000000
58 9.511320651 9.511317963 0.000000 0.000000
59 9.511355598 9.511352984 0.000000 0.000000
60 9.738746724 9.738744635 0.000000 0.000000
61 9.738768800 9.738767295 0.000000 0.000000
62 10.088422594 10.088418487 0.000000 0.000000
63 10.221791860 10.221790663 0.000000 0.000000
64 10.255764398 10.255762793 0.000000 0.000000
65 10.300582556 10.300570770 0.000000 0.000000
66 10.541920838 10.541905985 0.000000 0.000000
67 10.541964937 10.541950179 0.000000 0.000000
68 10.607544946 10.607535650 0.000000 0.000000
69 10.607830933 10.607823018 0.000000 0.000000
70 11.550032523 11.550028067 0.000000 0.000000
71 11.910937699 11.910933951 0.000000 0.000000
72 11.911061609 11.911058940 0.000000 0.000000
73 12.518413261 12.518408003 0.000000 0.000000
74 12.656031961 12.656014881 0.000000 0.000000
75 12.656042642 12.656026029 0.000000 0.000000
76 13.103784971 13.103782014 0.000000 0.000000
77 13.492209374 13.492193319 0.000000 0.000000
78 13.815995881 13.815997235 0.000000 0.000000
79 13.816074877 13.816076837 0.000000 0.000000
80 14.335211898 14.335210225 0.000000 0.000000
81 14.566188343 14.566187662 0.000000 0.000000
82 15.419226170 15.419210827 0.000000 0.000000
83 15.419255801 15.419215441 0.000000 0.000000
84 15.641284042 15.643384701 0.000000 0.000000
85 15.661398290 15.659552343 0.000000 0.000000
86 16.057871559 16.044242963 0.000000 0.000000
87 16.389369339 16.393177447 0.000000 0.000000
88 16.547246531 16.541916047 0.000000 0.000000
89 16.885310138 16.890811503 0.000000 0.000000
90 16.959638330 16.927855085 0.000000 0.000000
91 17.099494910 17.090308567 0.000000 0.000000
92 17.280302342 17.263239407 0.000000 0.000000
93 17.334309299 17.291503028 0.000000 0.000000
94 17.623051283 17.462600015 0.000000 0.000000
95 17.943123843 17.922941660 0.000000 0.000000
96 17.989848449 18.065769332 0.000000 0.000000
97 18.269795492 18.304196455 0.000000 0.000000
98 18.478785879 18.441580550 0.000000 0.000000
99 18.603204779 18.642337665 0.000000 0.000000
100 18.681770451 18.747125725 0.000000 0.000000