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{
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{
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"structure_string": "Ca1 Br1\n1.0\n5.052180 -0.000000 -0.000000\n-2.526090 4.375316 -0.000000\n0.000000 -0.000000 3.958547\nCa Br\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333333 0.666667 0.000000 Br\n",
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{
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"created_at": "2022-09-04T14:37:17.444785Z",
"updated_at": "2022-09-04T14:37:17.444810Z",
"structure_string": "K2 Na1 Al1 Cl6\n1.0\n6.112405 -0.000000 3.528999\n2.037468 5.762831 3.528999\n-0.000000 -0.000000 7.057997\nK Na Al Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500001 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Al\n0.766639 0.233361 0.233361 Cl\n0.233362 0.233361 0.766639 Cl\n0.233362 0.766639 0.766639 Cl\n0.233362 0.766639 0.233361 Cl\n0.766639 0.233361 0.766639 Cl\n0.766640 0.766639 0.233361 Cl\n",
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{
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"structure_string": "Si4 O8\n1.0\n5.171834 -0.172553 -1.496511\n-1.471588 4.961057 -1.496511\n0.070750 0.091558 6.843018\nSi O\n4 8\ndirect\n0.786716 0.792564 0.778589 Si\n0.560183 0.192539 0.620953 Si\n0.807461 0.439817 0.379048 Si\n0.207437 0.213284 0.221412 Si\n0.023323 0.417739 0.254376 O\n0.268484 0.104403 0.426609 O\n0.895596 0.731518 0.573392 O\n0.043308 0.956692 0.000000 O\n0.621241 0.502772 0.786291 O\n0.497228 0.378759 0.213709 O\n0.787007 0.212993 0.500000 O\n0.582262 -0.023322 0.745624 O\n",
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{
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"created_at": "2022-09-04T14:37:29.421711Z",
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"structure_string": "B2 N2\n1.0\n2.511389 -0.000000 0.000000\n-1.255694 2.174926 0.000000\n0.000000 0.000000 6.628192\nB N\n2 2\ndirect\n0.000000 0.000000 0.024999 B\n0.000000 0.000000 0.524999 B\n0.666668 0.333334 0.525001 N\n0.333335 0.666668 0.025001 N\n",
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{
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{
"id": "jvasp-34621",
"created_at": "2022-09-04T14:37:12.434655Z",
"updated_at": "2022-09-04T14:37:12.434680Z",
"structure_string": "Si4 O8\n1.0\n5.096504 -0.095424 -0.766224\n-0.580727 5.064209 -0.766224\n-0.062498 -0.068767 6.828436\nSi O\n4 8\ndirect\n0.445615 0.188090 0.572369 Si\n0.811909 0.554385 0.427633 Si\n0.996372 0.998298 0.764610 Si\n0.001702 0.003625 0.235392 Si\n0.241251 0.209976 0.733432 O\n0.530654 0.469345 0.500001 O\n0.013999 0.707257 0.633908 O\n0.912928 0.287973 0.321171 O\n0.790022 0.758749 0.266570 O\n0.018840 0.981160 0.000001 O\n0.712026 0.087071 0.678831 O\n0.292742 0.986001 0.366094 O\n",
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{
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"created_at": "2022-09-04T14:37:07.302964Z",
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"structure_string": "K4 Na2 As2\n1.0\n2.663049 -4.612536 0.000000\n2.663049 4.612536 0.000000\n-0.000000 0.000000 10.459755\nK Na As\n4 2 2\ndirect\n0.333333 0.666667 0.084910 K\n0.333333 0.666667 0.415090 K\n0.666667 0.333333 0.584909 K\n0.666667 0.333333 0.915090 K\n0.000000 0.000000 0.250000 Na\n0.000000 0.000000 0.750000 Na\n0.333333 0.666667 0.750000 As\n0.666667 0.333333 0.250000 As\n",
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{
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{
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"structure_string": "Na4 Mg2 H16 S4 O24\n1.0\n5.347444 0.000000 -0.998922\n0.000000 8.213124 0.000000\n0.077725 0.000000 11.101415\nNa Mg H S O\n4 2 16 4 24\ndirect\n0.878855 0.577910 0.136305 Na\n0.878855 0.922089 0.636305 Na\n0.121145 0.077910 0.363695 Na\n0.121145 0.422089 0.863695 Na\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.783819 0.359269 0.659936 H\n0.235957 0.719400 0.011070 H\n0.333547 0.701175 0.638240 H\n0.333547 0.798825 0.138241 H\n0.666454 0.201175 0.861759 H\n0.767596 0.946497 0.183464 H\n0.235958 0.780600 0.511069 H\n0.666453 0.298825 0.361759 H\n0.232404 0.446497 0.316536 H\n0.216182 0.859268 0.840063 H\n0.216182 0.640731 0.340064 H\n0.764043 0.280600 0.988930 H\n0.783818 0.140731 0.159936 H\n0.764042 0.219400 0.488930 H\n0.767596 0.553503 0.683464 H\n0.232404 0.053503 0.816536 H\n0.382086 0.291743 0.136255 S\n0.617914 0.708257 0.863745 S\n0.617913 0.791742 0.363745 S\n0.382087 0.208257 0.636255 S\n0.684008 0.863217 0.929456 O\n0.684008 0.636782 0.429456 O\n0.315992 0.363217 0.570543 O\n0.179884 0.713066 0.575287 O\n0.179883 0.786933 0.075287 O\n0.639422 0.726546 0.731277 O\n0.820116 0.286934 0.424712 O\n0.878880 0.463788 0.664311 O\n0.315992 0.136782 0.070544 O\n0.778243 0.925249 0.419505 O\n0.221757 0.425249 0.080494 O\n0.121121 0.963787 0.835689 O\n0.360578 0.273453 0.268723 O\n0.650746 0.171571 0.632162 O\n0.650746 0.328429 0.132162 O\n0.360578 0.226546 0.768723 O\n0.639422 0.773453 0.231277 O\n0.878880 0.036212 0.164311 O\n0.221757 0.074751 0.580494 O\n0.121120 0.536212 0.335689 O\n0.349254 0.828429 0.367838 O\n0.778243 0.574750 0.919505 O\n0.349255 0.671570 0.867838 O\n0.820117 0.213066 0.924712 O\n",
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