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{
"id": "jvasp-117704",
"created_at": "2022-09-04T14:38:53.611822Z",
"updated_at": "2022-09-04T14:38:53.611848Z",
"structure_string": "Be1 S2\n1.0\n4.211851 0.000000 0.000000\n-2.105926 3.647570 -0.000000\n-0.000000 0.000000 3.693350\nBe S\n1 2\ndirect\n0.000000 0.000000 0.000000 Be\n0.333332 0.666666 0.000000 S\n0.666666 0.333333 0.000000 S\n",
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{
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"structure_string": "Zn2 H16 C8 O16\n1.0\n4.354798 6.734920 -0.699570\n-4.354798 6.734920 0.699570\n0.022317 0.000000 6.599075\nZn H C O\n2 16 8 16\ndirect\n0.500000 -0.000000 0.500000 Zn\n-0.000000 0.500000 -0.000000 Zn\n0.488115 0.759853 0.253876 H\n0.759853 0.488114 0.246124 H\n0.511886 0.240146 0.746123 H\n0.240147 0.511885 0.753876 H\n0.712004 0.417062 0.045557 H\n0.417062 0.712004 0.454443 H\n0.287996 0.582938 0.954442 H\n0.582939 0.287996 0.545557 H\n0.151136 0.350991 0.389769 H\n0.649009 0.848864 0.889769 H\n0.848864 0.649008 0.610230 H\n0.553375 0.145053 0.122383 H\n0.145053 0.553375 0.377617 H\n0.446625 0.854947 0.877616 H\n0.854947 0.446624 0.622382 H\n0.350991 0.151136 0.110231 H\n0.132617 0.900872 0.003336 C\n0.867383 0.099128 0.996663 C\n0.099128 0.867382 0.503336 C\n0.900872 0.132617 0.496663 C\n0.900352 0.949046 0.504425 C\n0.050954 0.099648 0.004425 C\n0.099648 0.050954 0.495574 C\n0.949047 0.900351 0.995574 C\n0.216660 0.705603 0.505924 O\n0.294397 0.783340 0.005924 O\n0.783340 0.294397 0.494076 O\n0.880487 0.784382 0.989654 O\n0.784383 0.880486 0.510345 O\n0.119514 0.215618 0.010345 O\n0.215618 0.119513 0.489654 O\n0.514057 0.746751 0.403884 O\n0.253249 0.485943 0.903884 O\n0.485943 0.253248 0.596115 O\n0.098985 0.473371 0.307558 O\n0.473372 0.098985 0.192442 O\n0.901015 0.526628 0.692442 O\n0.526629 0.901015 0.807557 O\n0.746752 0.514057 0.096116 O\n0.705603 0.216660 0.994075 O\n",
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{
"id": "jvasp-4588",
"created_at": "2022-09-04T14:37:42.365599Z",
"updated_at": "2022-09-04T14:37:42.365614Z",
"structure_string": "Na4 S2\n1.0\n2.321136 -4.020325 0.000000\n2.321136 4.020325 0.000000\n0.000000 0.000000 6.491102\nNa S\n4 2\ndirect\n0.666668 0.333334 0.250000 Na\n0.333334 0.666668 0.750000 Na\n0.000000 0.000000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.666668 0.333334 0.750000 S\n0.333334 0.666668 0.250000 S\n",
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},
{
"id": "jvasp-31201",
"created_at": "2022-09-04T14:37:36.622857Z",
"updated_at": "2022-09-04T14:37:36.622880Z",
"structure_string": "Li4 Mg2 Cl8\n1.0\n7.337199 -0.035587 -0.021161\n3.637780 6.371994 -0.021161\n3.641049 2.102160 5.945807\nLi Mg Cl\n4 2 8\ndirect\n0.111039 0.111039 0.138961 Li\n0.500000 0.499999 0.000000 Li\n0.500000 0.499999 0.500000 Li\n0.888961 0.888960 0.861040 Li\n0.000000 0.500000 0.500000 Mg\n0.500000 -0.000000 0.500000 Mg\n0.251617 0.251617 0.260480 Cl\n0.251617 0.251617 0.736286 Cl\n0.252624 0.724153 0.261611 Cl\n0.724154 0.252623 0.261611 Cl\n0.275846 0.747376 0.738389 Cl\n0.747377 0.275845 0.738389 Cl\n0.748383 0.748382 0.263714 Cl\n0.748383 0.748382 0.739521 Cl\n",
"nsites": 14,
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"elements": [
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{
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"created_at": "2022-09-04T14:37:05.195624Z",
"updated_at": "2022-09-04T14:37:05.195647Z",
"structure_string": "Mn1 H8 N4 Cl2\n1.0\n4.326720 4.001871 -1.247207\n-4.326720 4.001871 1.247207\n-0.038917 0.000000 4.269180\nMn H N Cl\n1 8 4 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.011906 0.332797 0.447211 H\n0.667203 0.988094 0.447211 H\n0.988093 0.667203 0.552789 H\n0.332796 0.011906 0.552789 H\n0.260467 0.369431 0.702609 H\n0.630569 0.739533 0.702609 H\n0.739533 0.630569 0.297391 H\n0.369431 0.260467 0.297391 H\n0.146077 0.250180 0.601553 N\n0.749820 0.853923 0.601553 N\n0.853923 0.749821 0.398447 N\n0.250179 0.146077 0.398447 N\n0.712127 0.287873 -0.018573 Cl\n0.287873 0.712127 0.018573 Cl\n",
"nsites": 15,
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"formula_full": "Mn1 H8 N4 Cl2",
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{
"id": "jvasp-99327",
"created_at": "2022-09-04T14:36:35.006687Z",
"updated_at": "2022-09-04T14:36:35.006717Z",
"structure_string": "Si4 Cl8 O4\n1.0\n5.832820 0.001810 0.892507\n2.136133 7.574181 1.717647\n-0.023938 -0.020163 8.077636\nSi Cl O\n4 8 4\ndirect\n0.115505 0.687909 0.115006 Si\n0.884494 0.312091 0.884996 Si\n0.978296 0.677782 0.744084 Si\n0.021703 0.322219 0.255917 Si\n0.729559 0.331450 0.426007 Cl\n0.270441 0.668550 0.573994 Cl\n0.707436 0.889520 0.665109 Cl\n0.292564 0.110480 0.334892 Cl\n0.120955 0.110751 0.783645 Cl\n0.879044 0.889249 0.216356 Cl\n0.549848 0.283184 0.903285 Cl\n0.450151 0.716817 0.096716 Cl\n0.954785 0.309263 0.072090 O\n0.045214 0.690738 0.927912 O\n0.894603 0.498402 0.761915 O\n0.105396 0.501599 0.238086 O\n",
"nsites": 16,
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"formula_full": "Si4 Cl8 O4",
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{
"id": "jvasp-97862",
"created_at": "2022-09-04T14:35:53.019091Z",
"updated_at": "2022-09-04T14:35:53.019118Z",
"structure_string": "Si16 O32\n1.0\n8.371167 0.000000 0.000000\n0.000000 9.428439 -0.000000\n0.000000 0.000000 9.459697\nSi O\n16 32\ndirect\n0.313143 0.192207 0.099856 Si\n0.186898 0.899358 0.191827 Si\n0.686858 0.692207 0.400145 Si\n0.313143 0.692207 0.400145 Si\n0.813102 0.399358 0.308173 Si\n0.686858 0.807794 0.900145 Si\n0.813102 0.600642 0.691827 Si\n0.813102 0.899358 0.191827 Si\n0.686858 0.192207 0.099856 Si\n0.686858 0.307793 0.599856 Si\n0.813102 0.100642 0.808174 Si\n0.186898 0.600642 0.691827 Si\n0.313143 0.807794 0.900145 Si\n0.313143 0.307793 0.599856 Si\n0.186898 0.399358 0.308173 Si\n0.186898 0.100642 0.808174 Si\n0.749443 0.846080 0.345426 O\n0.208249 0.429821 0.679232 O\n0.250557 0.653920 0.845427 O\n0.000000 0.640243 0.670752 O\n0.749443 0.346080 0.154574 O\n0.749443 0.653920 0.845427 O\n0.250557 0.846080 0.345426 O\n0.291214 0.318659 0.429522 O\n0.708786 0.318659 0.429522 O\n0.749443 0.153920 0.654574 O\n0.791752 0.929821 0.820768 O\n0.291214 0.681341 0.570479 O\n0.000000 0.359758 0.329249 O\n0.291214 0.818659 0.070478 O\n0.250557 0.153920 0.654574 O\n0.708786 0.181341 0.929522 O\n0.208249 0.570180 0.320768 O\n0.291214 0.181341 0.929522 O\n0.500000 0.330339 0.638772 O\n0.000000 0.140242 0.829249 O\n0.208249 0.929821 0.820768 O\n0.791752 0.570180 0.320768 O\n0.708786 0.818659 0.070478 O\n0.708786 0.681341 0.570479 O\n0.500000 0.169661 0.138772 O\n0.000000 0.859758 0.170752 O\n0.791752 0.429821 0.679232 O\n0.250557 0.346080 0.154574 O\n0.208249 0.070180 0.179232 O\n0.500000 0.669661 0.361228 O\n0.500000 0.830339 0.861228 O\n0.791752 0.070180 0.179232 O\n",
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{
"id": "jvasp-121187",
"created_at": "2022-09-04T14:38:54.656935Z",
"updated_at": "2022-09-04T14:38:54.656947Z",
"structure_string": "Li1 S3\n1.0\n5.071366 -0.843748 0.019639\n2.059116 -3.412727 -0.071506\n0.643677 0.450955 -5.129417\nLi S\n1 3\ndirect\n0.067448 -0.195953 0.854324 Li\n0.654283 0.649253 0.885186 S\n0.525757 0.733150 0.283340 S\n0.159048 0.688570 0.359848 S\n",
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"spacegroup": 1
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{
"id": "jvasp-5521",
"created_at": "2022-09-04T14:35:43.518032Z",
"updated_at": "2022-09-04T14:35:43.518048Z",
"structure_string": "S2 Cl4 O4\n1.0\n5.379066 0.000000 1.890781\n2.689533 5.037359 0.945390\n0.267928 0.000000 7.834594\nS Cl O\n2 4 4\ndirect\n0.249643 0.500000 0.500000 S\n-0.000357 -0.000000 0.000000 S\n0.377788 0.784618 0.411682 Cl\n0.039471 0.284618 0.088318 Cl\n0.412407 0.715382 0.911682 Cl\n0.574089 0.215382 0.588317 Cl\n-0.000257 0.601571 0.655941 O\n0.905687 0.101571 0.844058 O\n0.257257 0.398429 0.344058 O\n0.851315 0.898429 0.155941 O\n",
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{
"id": "jvasp-53522",
"created_at": "2022-09-04T14:38:10.328243Z",
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"structure_string": "Li1 Ti1 Cl3\n1.0\n5.062508 0.000000 0.000000\n0.000000 5.062508 0.000000\n-0.000000 0.000000 4.886264\nLi Ti Cl\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.500000 Ti\n0.000000 0.500000 0.500000 Cl\n0.500000 0.000000 0.500000 Cl\n0.000000 0.000000 0.000000 Cl\n",
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{
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"created_at": "2022-09-04T14:35:48.625397Z",
"updated_at": "2022-09-04T14:35:48.625429Z",
"structure_string": "S4 Cl8 O4\n1.0\n0.000000 7.457349 0.067364\n5.765047 0.000000 0.000000\n0.000000 -1.425550 -8.614460\nS Cl O\n4 8 4\ndirect\n0.238126 0.059673 0.838139 S\n0.261874 0.559673 0.161861 S\n0.761874 0.940328 0.161862 S\n0.738126 0.440328 0.838139 S\n0.262955 0.214201 0.623281 Cl\n0.237045 0.714201 0.376719 Cl\n0.737045 0.785799 0.376720 Cl\n0.762955 0.285799 0.623281 Cl\n0.083979 0.766052 0.744776 Cl\n0.416021 0.266052 0.255224 Cl\n0.916022 0.233949 0.255225 Cl\n0.583979 0.733949 0.744776 Cl\n0.118727 0.204879 0.911507 O\n0.381274 0.704880 0.088493 O\n0.881274 0.795121 0.088493 O\n0.618727 0.295121 0.911507 O\n",
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]
}