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{
"id": "jvasp-112209",
"created_at": "2022-09-04T14:38:46.680337Z",
"updated_at": "2022-09-04T14:38:46.680363Z",
"structure_string": "Sn2 H16 C8 F4\n1.0\n4.422193 0.011810 -0.034387\n-1.841858 7.114428 -0.316533\n0.037711 0.011421 8.824541\nSn H C F\n2 16 8 4\ndirect\n0.999492 0.896753 0.008952 Sn\n0.429489 0.580829 0.497564 Sn\n0.122445 0.849096 0.722152 H\n0.815568 0.964535 0.729734 H\n0.379420 0.142233 0.631860 H\n0.334590 0.626133 0.204551 H\n0.648526 0.519195 0.226802 H\n0.240154 0.294817 0.087121 H\n0.945886 0.327358 0.212086 H\n0.487291 0.176271 0.824262 H\n0.049693 0.335527 0.874742 H\n0.306538 0.628634 0.784335 H\n0.613457 0.513227 0.776826 H\n0.780519 0.958488 0.279715 H\n0.094440 0.851539 0.301979 H\n0.483176 0.150311 0.294404 H\n0.188927 0.182856 0.419377 H\n0.941729 0.301439 0.682351 H\n0.048515 0.968488 0.774654 C\n0.284870 0.153951 0.746453 C\n0.405733 0.510688 0.257276 C\n0.237311 0.156695 0.298334 C\n0.144185 0.323772 0.760141 C\n0.380508 0.509226 0.731889 C\n0.023305 0.966977 0.249237 C\n0.191750 0.320974 0.208161 C\n0.527215 0.860448 0.506825 F\n0.901728 0.617137 -0.000288 F\n0.501612 0.896159 0.010141 F\n0.927290 0.581204 0.496345 F\n",
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{
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"structure_string": "Ba1 Ge1 Br1\n1.0\n-0.000000 3.960867 3.960867\n3.960867 -0.000000 3.960867\n3.960867 3.960867 0.000000\nBa Ge Br\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 Ge\n0.000000 0.000000 0.000000 Br\n",
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{
"id": "jvasp-120275",
"created_at": "2022-09-04T14:38:46.691440Z",
"updated_at": "2022-09-04T14:38:46.691461Z",
"structure_string": "La1 Al1 O1\n1.0\n4.748300 0.000000 0.000000\n-2.374150 4.112148 -0.000000\n-0.000000 -0.000000 3.297696\nLa Al O\n1 1 1\ndirect\n0.333332 0.666666 0.000000 La\n0.000000 0.000000 0.000000 Al\n0.666666 0.333333 0.000000 O\n",
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{
"id": "jvasp-116882",
"created_at": "2022-09-04T14:38:46.692565Z",
"updated_at": "2022-09-04T14:38:46.692596Z",
"structure_string": "Li4 Fe4 P4 O16\n1.0\n4.829967 -0.613908 -0.001018\n-1.098298 8.125462 -0.008680\n0.002094 0.011105 8.740499\nLi Fe P O\n4 4 4 16\ndirect\n0.940489 0.090812 0.633988 Li\n0.417548 0.483605 0.086495 Li\n0.940742 0.590721 0.866116 Li\n0.417249 0.983708 0.413582 Li\n0.591710 0.379515 0.489565 Fe\n0.047258 0.594785 0.497409 Fe\n0.047313 0.094782 0.002618 Fe\n0.591866 0.879345 0.010361 Fe\n0.051695 0.746864 0.163828 P\n0.558449 0.742190 0.675257 P\n0.051163 0.246784 0.336170 P\n0.558546 0.242175 0.824740 P\n0.151212 0.257735 0.167635 O\n0.720467 0.268623 0.670356 O\n0.727363 0.729185 0.152786 O\n0.236917 0.654095 0.700410 O\n0.726858 0.229263 0.347172 O\n0.236939 0.154294 0.799622 O\n0.602263 0.906242 0.586428 O\n0.219729 0.422887 0.408473 O\n0.602756 0.406056 0.913834 O\n0.138430 0.112526 0.431623 O\n0.220153 0.923038 0.091596 O\n0.679646 0.611116 0.581909 O\n0.720546 0.768372 0.829600 O\n0.679737 0.110809 0.917730 O\n0.139222 0.612758 0.068322 O\n0.151723 0.757717 0.332370 O\n",
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{
"id": "jvasp-114032",
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"updated_at": "2022-09-04T14:38:46.693112Z",
"structure_string": "S1 F2\n1.0\n4.044982 0.000000 -0.008296\n0.000000 3.132229 0.000000\n0.014625 0.000000 3.862905\nS F\n1 2\ndirect\n0.670610 0.000000 -0.061376 S\n-0.350714 0.000000 -0.486155 F\n0.080103 0.000000 -0.052468 F\n",
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{
"id": "jvasp-112210",
"created_at": "2022-09-04T14:38:46.693204Z",
"updated_at": "2022-09-04T14:38:46.693238Z",
"structure_string": "Sn2 H24 C12 F4\n1.0\n4.425479 0.387200 -0.000134\n-0.283420 8.118629 -0.000122\n0.000451 -0.000177 10.097223\nSn H C F\n2 24 12 4\ndirect\n0.289723 0.725882 0.537765 Sn\n0.619899 0.580441 0.037782 Sn\n0.763922 0.547308 0.783452 H\n0.441670 0.433728 0.812561 H\n0.747348 0.198962 0.902782 H\n0.069335 0.314729 0.917251 H\n0.162484 0.107328 0.402743 H\n0.145899 0.758970 0.283420 H\n0.468155 0.872543 0.312568 H\n-0.174843 0.958824 0.168238 H\n0.133521 0.084049 0.153502 H\n0.633184 0.235499 0.116093 H\n0.521054 0.190203 0.278694 H\n0.840469 -0.008419 0.417209 H\n0.084695 0.347436 0.668275 H\n0.776330 0.222214 0.653542 H\n0.825671 0.927398 0.723052 H\n0.006922 -0.052005 0.877005 H\n0.470709 0.792490 0.785470 H\n0.084126 0.378889 0.222967 H\n0.148233 0.672279 0.789154 H\n0.902998 0.358262 0.376944 H\n0.761585 0.633979 0.289163 H\n0.439123 0.513763 0.285514 H\n0.276630 0.070749 0.616132 H\n0.388793 0.116061 0.778724 H\n-0.064063 0.061177 0.215922 C\n0.868948 0.297807 0.855144 C\n0.242090 0.850001 0.349359 C\n0.040869 0.008485 0.355104 C\n0.667702 0.456285 0.849383 C\n0.719724 0.213890 0.217797 C\n0.862252 0.368589 0.269551 C\n0.047580 0.937683 0.769605 C\n0.190105 0.092375 0.717840 C\n0.665754 0.525036 0.245445 C\n0.244036 0.781233 0.745443 C\n0.973904 0.245094 0.715965 C\n0.129342 0.592342 0.036608 F\n0.780361 0.714010 0.536600 F\n0.314254 0.484005 0.511921 F\n0.595319 0.822323 0.011958 F\n",
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"formula_full": "Sn2 H24 C12 F4",
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{
"id": "jvasp-113647",
"created_at": "2022-09-04T14:38:46.693413Z",
"updated_at": "2022-09-04T14:38:46.693438Z",
"structure_string": "Al1 H1 O2\n1.0\n1.391666 0.803479 4.301392\n-1.391666 0.803479 4.301392\n-0.000000 -1.606957 4.301392\nAl H O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 H\n0.245128 0.245128 0.245128 O\n0.754872 0.754872 0.754872 O\n",
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},
{
"id": "jvasp-116965",
"created_at": "2022-09-04T14:38:46.696082Z",
"updated_at": "2022-09-04T14:38:46.696105Z",
"structure_string": "Zr6 Ga16 Ir7\n1.0\n7.615474 -0.000000 4.396796\n2.538491 7.179938 4.396796\n0.000000 -0.000000 8.793592\nZr Ga Ir\n6 16 7\ndirect\n0.695880 0.695881 0.304120 Zr\n0.304119 0.695881 0.304120 Zr\n0.695880 0.304119 0.304120 Zr\n0.304119 0.304119 0.695881 Zr\n0.695880 0.304119 0.695881 Zr\n0.304119 0.695881 0.695881 Zr\n0.345787 0.345787 0.345787 Ga\n0.962640 0.345787 0.345788 Ga\n0.345786 0.962640 0.345788 Ga\n0.345787 0.345787 0.962640 Ga\n0.654213 0.654213 0.654214 Ga\n0.037360 0.654213 0.654213 Ga\n0.654213 0.037360 0.654213 Ga\n0.654213 0.654213 0.037361 Ga\n0.632562 0.122480 0.122480 Ga\n0.122479 0.632562 0.122480 Ga\n0.122479 0.122480 0.632562 Ga\n0.877520 0.877521 0.877521 Ga\n0.367437 0.877521 0.877521 Ga\n0.877520 0.367438 0.877521 Ga\n0.877520 0.877521 0.367439 Ga\n0.122479 0.122480 0.122480 Ga\n-0.000000 0.500000 0.000000 Ir\n0.000000 0.000000 0.000000 Ir\n0.000000 0.000000 0.500000 Ir\n0.500000 0.000000 0.500000 Ir\n-0.000000 0.500000 0.500000 Ir\n0.500000 0.500000 0.000001 Ir\n0.500000 0.000000 0.000000 Ir\n",
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{
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"structure_string": "H20 Pb1 C12 O4\n1.0\n3.728836 -0.107218 -0.418973\n-0.525296 5.550421 -0.194993\n0.122626 0.516385 14.882531\nH Pb C O\n20 1 12 4\ndirect\n0.634251 0.552160 0.381348 H\n0.972058 0.401201 0.496888 H\n0.404825 0.176948 0.927409 H\n0.032774 0.443463 0.059787 H\n0.460026 0.434618 0.762998 H\n0.922661 0.429693 0.797081 H\n0.611671 0.695755 0.621532 H\n0.066549 0.664437 0.655406 H\n0.781927 0.948450 0.486335 H\n0.230575 0.898841 0.517993 H\n0.959419 0.171944 0.350287 H\n0.390478 0.097562 0.381727 H\n0.374169 0.636064 0.906514 H\n0.844465 0.685319 0.936732 H\n0.556286 0.893218 0.769658 H\n0.016289 0.882672 0.803047 H\n0.758371 0.151235 0.635923 H\n0.213010 0.114559 0.667163 H\n0.207677 0.613339 0.334542 H\n0.420362 0.345253 0.526687 H\n0.770376 0.960303 0.106878 Pb\n0.824232 0.304511 0.028877 C\n0.609379 0.323988 0.953359 C\n0.627713 0.557682 0.901848 C\n0.695615 0.535398 0.802489 C\n0.780182 0.785932 0.762225 C\n0.853831 0.781093 0.663231 C\n0.217711 0.241611 0.388452 C\n0.031894 0.025431 0.527021 C\n0.164635 0.270427 0.488091 C\n0.384007 0.468334 0.342858 C\n0.471748 0.399088 0.251084 C\n0.966272 0.032154 0.626544 C\n0.229354 0.788060 0.068055 O\n0.797452 0.790426 0.243803 O\n0.362938 0.201468 0.213628 O\n0.703621 0.541828 0.206435 O\n",
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{
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"structure_string": "Tm2 Mo2 Cl2 O8\n1.0\n6.017389 0.016401 1.525114\n1.749903 5.757350 1.525114\n0.006014 0.004470 6.786866\nTm Mo Cl O\n2 2 2 8\ndirect\n0.778221 0.778221 0.108790 Tm\n0.221778 0.221779 0.891210 Tm\n0.362585 0.362585 0.269764 Mo\n0.637414 0.637415 0.730236 Mo\n0.991120 0.991121 0.762584 Cl\n0.008879 0.008879 0.237416 Cl\n0.705006 0.705007 0.461232 O\n0.294993 0.294993 0.538767 O\n0.509009 0.893521 0.845490 O\n0.455652 0.455652 0.801317 O\n0.106479 0.490991 0.154509 O\n0.893520 0.509009 0.845490 O\n0.544348 0.544348 0.198683 O\n0.490991 0.106479 0.154509 O\n",
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"structure_string": "As1 I1 F1\n1.0\n4.795787 -0.000000 -0.000000\n-2.397894 4.153274 0.000000\n-0.000000 0.000000 3.509973\nAs I F\n1 1 1\ndirect\n0.000000 0.000000 0.000000 As\n0.666668 0.333333 0.000000 I\n0.333333 0.666665 0.000000 F\n",
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{
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"created_at": "2022-09-04T14:38:46.710023Z",
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"structure_string": "K1 Sm1 O2\n1.0\n3.417190 -0.011034 5.583102\n1.564617 3.037974 5.583102\n-0.018160 -0.011034 6.545829\nK Sm O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500001 0.499999 Sm\n0.230681 0.230681 0.230680 O\n0.769319 0.769320 0.769318 O\n",
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]
}