Stage_1/POSCAR output for 778: Layer_conf1_M_B_hs
Status:
interrupted
Layer_conf1_M_B_hs
1.0
11.33530000 0.00000000 0.00000000
0.00000000 12.18270000 0.00000000
0.00000000 0.00000000 32.51340000
S Mo Bi Cl O
32 16 18 18 18
Direct
0.46422117 0.12514175 0.99009235 # 1 S1
0.21607971 0.99918430 0.99144197 # 2 S2
0.46916896 0.12447983 0.08625861 # 3 S3
0.21912893 0.99999339 0.08758849 # 4 S4
0.96937540 0.12528802 0.99112184 # 5 S7
0.71871080 0.99972893 0.98912934 # 6 S8
0.96605836 0.12490480 0.08719154 # 7 S9
0.71486116 0.00112386 0.08510261 # 8 S10
0.46490487 0.37461006 0.98994397 # 9 S13
0.21643924 0.25043813 0.99138765 # 10 S14
0.46942575 0.37622993 0.08600699 # 11 S15
0.21913440 0.24987524 0.08756968 # 12 S16
0.96909771 0.37432287 0.99113837 # 13 S19
0.71869755 0.25018357 0.98903719 # 14 S20
0.96530803 0.37484418 0.08720947 # 15 S21
0.71423320 0.24950299 0.08491072 # 16 S22
0.46663644 0.62479283 0.98955503 # 17 S25
0.21529547 0.50073405 0.99165528 # 18 S26
0.46965582 0.62553314 0.08546319 # 19 S27
0.21933329 0.50003310 0.08769643 # 20 S28
0.96853122 0.62462488 0.99084361 # 21 S31
0.71904977 0.50020076 0.98945174 # 22 S32
0.96381522 0.62511957 0.08701428 # 23 S33
0.71572992 0.49873559 0.08551001 # 24 S34
0.46586861 0.87541745 0.98971600 # 25 S37
0.21491846 0.74954493 0.99167165 # 26 S38
0.46973528 0.87376177 0.08565515 # 27 S39
0.21938392 0.75001111 0.08767475 # 28 S40
0.96877452 0.87565460 0.99091697 # 29 S43
0.71905945 0.74982803 0.98950455 # 30 S44
0.96444327 0.87502646 0.08696971 # 31 S45
0.71639058 0.75056303 0.08577456 # 32 S46
0.13287542 0.12497769 0.03960007 # 33 Mo5
0.38226007 0.99957524 0.03866207 # 34 Mo6
0.63174135 0.12503592 0.03677373 # 35 Mo11
0.88173760 0.00034203 0.03843938 # 36 Mo12
0.13232747 0.37493555 0.03979750 # 37 Mo17
0.38214348 0.25016127 0.03886237 # 38 Mo18
0.63195341 0.37496936 0.03697924 # 39 Mo23
0.88183163 0.24980456 0.03854107 # 40 Mo24
0.13136582 0.62497750 0.04002791 # 41 Mo29
0.38247555 0.50043769 0.03827794 # 42 Mo30
0.63263235 0.62499790 0.03738669 # 43 Mo35
0.88189023 0.49964603 0.03849208 # 44 Mo36
0.13178835 0.87500792 0.03987522 # 45 Mo41
0.38267787 0.74978455 0.03800504 # 46 Mo42
0.63233273 0.87495056 0.03720625 # 47 Mo47
0.88195029 0.75011282 0.03837436 # 48 Mo48
0.25096976 0.10741146 0.22254787 # 49 Bi1
0.08416167 0.27320577 0.30107526 # 50 Bi2
0.58395353 0.10730453 0.22202143 # 51 Bi7
0.41791392 0.27320799 0.30050947 # 52 Bi8
0.91849208 0.10745614 0.22258068 # 53 Bi13
0.75036989 0.27328348 0.30014474 # 54 Bi14
0.25062800 0.44031956 0.22263259 # 55 Bi19
0.08478065 0.60689352 0.30095053 # 56 Bi20
0.58405942 0.44069328 0.22222748 # 57 Bi25
0.41807410 0.60697497 0.30024077 # 58 Bi26
0.91827422 0.44089440 0.22275767 # 59 Bi31
0.75081932 0.60678610 0.30048199 # 60 Bi32
0.25015717 0.77421534 0.22249127 # 61 Bi37
0.08432159 0.94008885 0.30094739 # 62 Bi38
0.58460686 0.77362830 0.22206796 # 63 Bi43
0.41809558 0.93975196 0.30023970 # 64 Bi44
0.91810389 0.77399060 0.22244528 # 65 Bi49
0.75058349 0.94002469 0.30010905 # 66 Bi50
0.08492834 0.27144454 0.18053600 # 67 Cl3
0.25136392 0.10604879 0.34337704 # 68 Cl4
0.41611665 0.27141440 0.18061638 # 69 Cl9
0.58458968 0.10636820 0.34305049 # 70 Cl10
0.75331930 0.27031676 0.18254549 # 71 Cl15
0.91655530 0.10650504 0.34338764 # 72 Cl16
0.08501106 0.60404270 0.18104077 # 73 Cl21
0.25164040 0.44038154 0.34360915 # 74 Cl22
0.41604760 0.60275958 0.18221565 # 75 Cl27
0.58450040 0.44011200 0.34318053 # 76 Cl28
0.75093279 0.60387224 0.18060391 # 77 Cl33
0.91700583 0.43977705 0.34356492 # 78 Cl34
0.08546610 0.93543992 0.18056202 # 79 Cl39
0.25211596 0.77365141 0.34346729 # 80 Cl40
0.41540295 0.93819970 0.18169218 # 81 Cl45
0.58421334 0.77340969 0.34307393 # 82 Cl46
0.75228799 0.93747203 0.18169370 # 83 Cl51
0.91722409 0.77381736 0.34332384 # 84 Cl52
0.25071627 0.27245440 0.26062184 # 85 O5
0.08438706 0.10614938 0.26290063 # 86 O6
0.58365495 0.27246675 0.25988656 # 87 O11
0.41821061 0.10645842 0.26237738 # 88 O12
0.91859670 0.27243764 0.26066390 # 89 O17
0.75078824 0.10613487 0.26230423 # 90 O18
0.25049272 0.60605142 0.26076698 # 91 O23
0.08424046 0.43950404 0.26312972 # 92 O24
0.58485051 0.60605513 0.25984563 # 93 O29
0.41809566 0.43929831 0.26261190 # 94 O30
0.91790837 0.60627086 0.26049879 # 95 O35
0.75071243 0.43974225 0.26257050 # 96 O36
0.25054303 0.93944515 0.26057291 # 97 O41
0.08439856 0.77299347 0.26289579 # 98 O42
0.58424052 0.93935237 0.25971422 # 99 O47
0.41811021 0.77296640 0.26241407 # 100 O48
0.91828322 0.93913090 0.26044215 # 101 O53
0.75038354 0.77271465 0.26228610 # 102 O54