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{
"id": "jvasp-30521",
"created_at": "2022-09-04T14:37:15.989607Z",
"updated_at": "2022-09-04T14:37:15.989625Z",
"structure_string": "Ni1 H1 O2\n1.0\n2.943743 -0.000009 0.000207\n-1.471880 2.549370 0.000000\n0.000275 0.000159 4.432967\nNi H O\n1 1 2\ndirect\n0.999944 0.999972 0.998619 Ni\n0.666776 0.333387 0.548496 H\n0.333212 0.666606 0.210775 O\n0.666671 0.333336 0.772085 O\n",
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{
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"structure_string": "Ni1 H2 O2\n1.0\n0.454947 0.262663 4.437289\n-2.683084 0.272081 4.758619\n-1.105912 -2.459659 4.758619\nNi H O\n1 2 2\ndirect\n0.000001 0.887289 0.112710 Ni\n0.222990 0.553968 0.779368 H\n0.777012 0.220631 0.446032 H\n0.442089 0.553959 0.779376 O\n0.557913 0.220623 0.446040 O\n",
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{
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"structure_string": "Ni1 H1 O2\n1.0\n2.114145 1.472325 -1.435029\n-0.000000 2.944647 0.000000\n3.870663 0.000000 2.715635\nNi H O\n1 1 2\ndirect\n0.995996 0.002000 0.997492 Ni\n0.018869 0.490566 0.463987 H\n0.181883 0.409058 0.221085 O\n0.803249 0.598375 0.784188 O\n",
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},
{
"id": "jvasp-29863",
"created_at": "2022-09-04T14:37:15.260495Z",
"updated_at": "2022-09-04T14:37:15.260517Z",
"structure_string": "Ni1 H2 O2\n1.0\n1.577801 2.067875 4.825770\n-1.577801 2.067875 4.825770\n0.000000 -0.637612 4.437677\nNi H O\n1 2 2\ndirect\n0.942885 0.057113 0.000002 Ni\n0.609456 0.723879 0.224407 H\n0.276119 0.390543 0.775597 H\n0.609507 0.723798 0.442794 O\n0.276200 0.390491 0.557209 O\n",
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"volume": 38.66726436709827,
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"formula_full": "Ni1 H2 O2",
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},
{
"id": "jvasp-29783",
"created_at": "2022-09-04T14:38:06.845626Z",
"updated_at": "2022-09-04T14:38:06.845653Z",
"structure_string": "Ni1 H2 O2\n1.0\n3.367314 -0.000379 0.000124\n-1.683985 2.916749 0.000000\n0.000125 0.000072 4.118972\nNi H O\n1 2 2\ndirect\n0.999957 0.999979 0.979906 Ni\n0.666725 0.333364 0.028936 H\n0.333365 0.666682 0.438221 H\n0.666585 0.333292 0.787873 O\n0.333368 0.666684 0.198795 O\n",
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{
"id": "jvasp-12151",
"created_at": "2022-09-04T14:36:14.036322Z",
"updated_at": "2022-09-04T14:36:14.036336Z",
"structure_string": "Ni1 H2 O2\n1.0\n1.561230 0.901376 5.973387\n-1.561230 0.901376 5.973387\n-0.000000 -1.802752 5.973387\nNi H O\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ni\n0.556088 0.556088 0.556084 H\n0.443915 0.443915 0.443912 H\n0.610484 0.610484 0.610480 O\n0.389519 0.389519 0.389516 O\n",
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{
"id": "jvasp-40994",
"created_at": "2022-09-04T14:37:33.453104Z",
"updated_at": "2022-09-04T14:37:33.453131Z",
"structure_string": "Sr1 Ni2 P2 H4 O10\n1.0\n-4.481253 -3.011150 -0.006255\n4.481253 -3.011150 0.006255\n-3.037094 0.000000 6.772364\nSr Ni P H O\n1 2 2 4 10\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.000000 0.499998 Ni\n0.999999 0.500000 0.500000 Ni\n0.586399 0.413601 0.222549 P\n0.413601 0.586399 0.777451 P\n0.255280 0.744720 0.207464 H\n0.073840 0.926160 0.365868 H\n0.926160 0.073840 0.634132 H\n0.744720 0.255280 0.792535 H\n0.299338 0.700661 0.661728 O\n0.814736 0.185263 0.638991 O\n0.185263 0.814737 0.361009 O\n0.700661 0.299339 0.338272 O\n0.703526 0.296474 0.003303 O\n0.265680 0.307247 0.272658 O\n0.296474 0.703526 0.996697 O\n0.307248 0.265680 0.727342 O\n0.692752 0.734320 0.272658 O\n0.734321 0.692753 0.727342 O\n",
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],
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"density_atomic": 0.10389142262685175,
"volume": 182.88324020975784,
"volume_molar": 5.796571658884493,
"formula_full": "Sr1 Ni2 P2 H4 O10",
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{
"id": "jvasp-33746",
"created_at": "2022-09-04T14:38:02.021130Z",
"updated_at": "2022-09-04T14:38:02.021141Z",
"structure_string": "Ni1 H12 S1 O9\n1.0\n5.875699 -0.035684 -0.039614\n-0.589498 5.846162 -0.039614\n-0.589498 -0.647963 5.810277\nNi H S O\n1 12 1 9\ndirect\n0.006639 0.006639 0.006639 Ni\n0.802377 0.369334 0.189933 H\n0.548036 0.955653 0.024887 H\n0.641072 0.738736 0.140318 H\n0.409017 0.277946 0.072084 H\n0.369333 0.189933 0.802378 H\n0.738735 0.140318 0.641073 H\n0.189932 0.802378 0.369334 H\n0.140317 0.641072 0.738736 H\n0.072084 0.409017 0.277946 H\n0.024886 0.548037 0.955653 H\n0.955653 0.024887 0.548037 H\n0.277946 0.072084 0.409017 H\n0.507358 0.507359 0.507359 S\n0.891602 0.089871 0.687619 O\n0.089870 0.687619 0.891603 O\n0.141444 0.956684 0.340934 O\n0.254376 0.563526 0.484659 O\n0.340933 0.141445 0.956684 O\n0.484658 0.254377 0.563527 O\n0.563526 0.484659 0.254377 O\n0.687618 0.891603 0.089871 O\n0.956684 0.340934 0.141446 O\n",
"nsites": 23,
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],
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"density_atomic": 0.11548552408524343,
"volume": 199.15916026863238,
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"formula_full": "Ni1 H12 S1 O9",
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"formula_anonymous": "ABC9D12",
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},
{
"id": "jvasp-51779",
"created_at": "2022-09-04T14:37:06.001773Z",
"updated_at": "2022-09-04T14:37:06.001796Z",
"structure_string": "Ni2 H4 S2 O10\n1.0\n3.005952 3.835710 -1.559183\n-3.005952 3.835710 1.559183\n0.038447 0.000000 7.381810\nNi H S O\n2 4 2 10\ndirect\n0.500000 0.500000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.429708 0.156732 0.797249 H\n0.156732 0.429707 0.702751 H\n0.570292 0.843268 0.202751 H\n0.843268 0.570292 0.297249 H\n0.841141 0.841140 0.750000 S\n0.158859 0.158859 0.250000 S\n0.384070 0.161345 0.158869 O\n0.161345 0.384069 0.341131 O\n0.615931 0.838655 0.841131 O\n0.838655 0.615930 0.658869 O\n0.120737 0.779079 0.908538 O\n0.879263 0.220920 0.091463 O\n0.779080 0.120737 0.591463 O\n0.368765 0.368765 0.750000 O\n0.220921 0.879263 0.408538 O\n0.631235 0.631235 0.250000 O\n",
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"formula_full": "Ni2 H4 S2 O10",
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},
{
"id": "jvasp-12710",
"created_at": "2022-09-04T14:38:11.554902Z",
"updated_at": "2022-09-04T14:38:11.554929Z",
"structure_string": "Ni2 H4 Se2 O10\n1.0\n5.059000 -0.039829 -1.610594\n-1.291343 4.891574 -1.610594\n-0.009740 -0.012543 7.555105\nNi H Se O\n2 4 2 10\ndirect\n0.000000 0.000000 0.500000 Ni\n0.500000 0.499999 0.000000 Ni\n0.632126 0.031198 0.199372 H\n0.468802 0.867873 0.300630 H\n0.367874 0.968801 0.800630 H\n0.531198 0.132126 0.699372 H\n0.913845 0.586155 0.750001 Se\n0.086155 0.413845 0.250000 Se\n0.195470 0.293653 0.432011 O\n0.809473 0.239540 0.652069 O\n0.739541 0.309473 0.152069 O\n0.190527 0.760459 0.347932 O\n0.375576 0.124424 0.750001 O\n0.624424 0.875575 0.250001 O\n0.793654 0.695469 0.932012 O\n0.804531 0.706346 0.567991 O\n0.206347 0.304530 0.067990 O\n0.260460 0.690527 0.847933 O\n",
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},
{
"id": "jvasp-110476",
"created_at": "2022-09-04T14:38:38.705216Z",
"updated_at": "2022-09-04T14:38:38.705245Z",
"structure_string": "Th1 Ni2 H2\n1.0\n4.322604 0.000000 0.000000\n-2.161302 3.743485 -0.000000\n-0.000000 0.000000 3.570787\nTh Ni H\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.333333 0.666668 0.500000 Ni\n0.666667 0.333333 0.500000 Ni\n0.666667 0.333333 0.000000 H\n0.333333 0.666668 0.000000 H\n",
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},
{
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"structure_string": "Zr1 Ti1 Ni2 H2\n1.0\n5.141027 0.029506 0.000000\n-4.071496 3.139100 0.000000\n-0.000000 0.000000 3.995579\nZr Ti Ni H\n1 1 2 2\ndirect\n0.166673 0.833327 -0.000000 Zr\n0.882867 0.117135 0.500000 Ti\n0.588258 0.411743 0.500000 Ni\n0.434377 0.565624 -0.000000 Ni\n0.100052 0.899947 0.500000 H\n0.827774 0.172228 -0.000000 H\n",
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}
]
}