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{
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"structure_string": "Ba4 Ca2 Mg2 Al4 F28\n1.0\n5.240271 0.000000 0.000000\n-2.620136 6.824902 -0.220117\n0.000000 -0.003362 14.682696\nBa Ca Mg Al F\n4 2 2 4 28\ndirect\n0.844949 0.615255 0.382048 Ba\n0.229695 0.384745 0.117952 Ba\n0.155050 0.384745 0.617952 Ba\n0.770304 0.615255 0.882048 Ba\n0.560913 0.000000 0.250000 Ca\n0.439087 0.000000 0.750000 Ca\n0.500000 0.000000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.878627 0.767365 0.621877 Al\n0.111263 0.232636 0.878123 Al\n0.121372 0.232636 0.378123 Al\n0.888736 0.767364 0.121877 Al\n0.068458 0.014351 0.659410 F\n0.039312 0.680498 0.716108 F\n0.358814 0.319502 0.783892 F\n0.960687 0.319502 0.283892 F\n0.641185 0.680498 0.216108 F\n0.512499 0.131768 0.119246 F\n0.590121 0.745007 0.694750 F\n0.154884 0.745006 0.194749 F\n0.409878 0.254993 0.305251 F\n0.380729 0.868231 0.380754 F\n0.054106 0.985649 0.840590 F\n0.845115 0.254994 0.805251 F\n0.931541 0.985649 0.340590 F\n0.265478 0.156462 0.476676 F\n0.596573 0.773594 0.051052 F\n0.822979 0.226406 0.448948 F\n0.403426 0.226406 0.948948 F\n0.177020 0.773594 0.551052 F\n0.619270 0.131769 0.619246 F\n0.109016 0.843538 0.023324 F\n0.734521 0.843538 0.523325 F\n0.890983 0.156462 0.976676 F\n0.716527 0.517276 0.578133 F\n0.199252 0.482724 0.921867 F\n0.283472 0.482724 0.421867 F\n0.800747 0.517276 0.078133 F\n0.945893 0.014351 0.159410 F\n0.487500 0.868232 0.880754 F\n",
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{
"id": "jvasp-98246",
"created_at": "2022-09-04T14:36:15.587509Z",
"updated_at": "2022-09-04T14:36:15.587528Z",
"structure_string": "Cu2 Ag10 As6 O22\n1.0\n5.962291 -0.051043 -0.108545\n-0.432770 8.928916 -1.120212\n-0.015225 0.008505 10.389813\nCu Ag As O\n2 10 6 22\ndirect\n0.499999 -0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.797926 0.321988 0.654861 Ag\n0.700706 0.328070 0.306489 Ag\n0.433161 0.975909 0.828583 Ag\n0.753158 0.671426 0.159584 Ag\n0.743382 0.646639 0.866902 Ag\n0.202073 0.678013 0.345139 Ag\n0.299293 0.671930 0.693511 Ag\n0.566838 0.024091 0.171418 Ag\n0.256617 0.353361 0.133099 Ag\n0.246841 0.328574 0.840417 Ag\n0.737966 0.294650 0.984136 As\n0.272163 0.322995 0.481098 As\n0.051776 0.031416 0.308206 As\n0.262033 0.705350 0.015865 As\n0.727836 0.677006 0.518902 As\n0.948223 0.968584 0.691795 As\n0.514629 0.173547 0.016867 O\n0.685000 0.560204 0.633968 O\n0.640200 0.395724 0.866018 O\n0.186979 0.406175 0.626102 O\n0.908090 0.886427 0.833193 O\n0.841614 0.406672 0.121556 O\n0.967087 0.806920 0.570965 O\n0.202371 0.061625 0.680382 O\n0.813020 0.593825 0.373898 O\n0.158385 0.593328 0.878444 O\n0.507475 0.214953 0.475751 O\n0.485370 0.826453 0.983134 O\n0.032912 0.193081 0.429035 O\n0.286167 0.939803 0.348347 O\n0.713833 0.060198 0.651654 O\n0.955443 0.185786 0.920447 O\n0.492524 0.785047 0.524250 O\n0.314999 0.439796 0.366033 O\n0.797628 0.938375 0.319619 O\n0.359800 0.604276 0.133983 O\n0.044556 0.814215 0.079553 O\n0.091909 0.113574 0.166807 O\n",
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{
"id": "jvasp-97563",
"created_at": "2022-09-04T14:36:19.845849Z",
"updated_at": "2022-09-04T14:36:19.845870Z",
"structure_string": "Li12 H24 Ir4\n1.0\n8.490002 -0.000000 0.000000\n-0.000000 4.751497 0.000000\n0.000000 0.000000 8.469586\nLi H Ir\n12 24 4\ndirect\n0.541478 0.250000 0.869924 Li\n0.771424 0.750000 0.758371 Li\n0.271424 0.750000 0.741630 Li\n0.228576 0.250000 0.241629 Li\n0.602642 0.750000 0.478232 Li\n0.102642 0.750000 0.021768 Li\n0.728576 0.250000 0.258371 Li\n0.897358 0.250000 0.978233 Li\n0.958521 0.750000 0.369923 Li\n0.458522 0.750000 0.130077 Li\n0.041478 0.250000 0.630077 Li\n0.397358 0.250000 0.521768 Li\n0.387414 0.750000 0.559347 H\n0.105140 0.495566 0.820801 H\n0.612586 0.250000 0.440654 H\n0.112586 0.250000 0.059347 H\n0.887414 0.750000 0.940654 H\n0.225879 0.250000 0.896994 H\n0.334526 0.250000 0.733940 H\n0.165473 0.750000 0.233940 H\n0.665473 0.750000 0.266060 H\n0.725879 0.250000 0.603007 H\n0.605140 0.004434 0.679200 H\n0.834526 0.250000 0.766061 H\n0.894859 0.995566 0.179199 H\n0.346030 0.498634 0.971173 H\n0.894859 0.504434 0.179199 H\n0.394860 0.995566 0.320801 H\n0.105140 0.004434 0.820801 H\n0.605140 0.495566 0.679200 H\n0.274121 0.750000 0.396994 H\n0.846030 0.001366 0.528828 H\n0.653969 -0.001366 0.028827 H\n0.153970 0.501367 0.471173 H\n0.653969 0.501367 0.028827 H\n0.153970 -0.001366 0.471173 H\n0.346030 0.001366 0.971173 Ir\n0.846030 0.498634 0.528828 Ir\n0.394860 0.504434 0.320801 Ir\n0.774121 0.750000 0.103007 Ir\n",
"nsites": 40,
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"formula_full": "Li12 H24 Ir4",
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{
"id": "jvasp-96605",
"created_at": "2022-09-04T14:36:10.267767Z",
"updated_at": "2022-09-04T14:36:10.267797Z",
"structure_string": "Na8 H8 N8 O16\n1.0\n6.361084 -0.000073 -0.000157\n-0.000112 9.688129 -0.000165\n-0.000168 -0.000114 6.667072\nNa H N O\n8 8 8 16\ndirect\n0.000000 0.500000 0.500001 Na\n0.000001 0.500000 0.000001 Na\n-0.000000 0.000000 0.500000 Na\n0.999998 0.000001 -0.000001 Na\n0.327801 0.250002 0.500004 Na\n0.672201 0.750001 0.999996 Na\n0.672198 0.749998 0.499996 Na\n0.327798 0.250001 0.000004 Na\n0.820338 0.277396 0.106784 H\n0.179668 0.722613 0.606786 H\n0.820332 0.222608 0.893212 H\n0.179661 0.777392 0.393217 H\n0.179669 0.777395 0.106789 H\n0.820331 0.277388 0.393211 H\n0.820338 0.222609 0.606780 H\n0.179659 0.722607 0.893217 H\n0.612511 0.025568 0.249991 N\n0.612510 0.474436 0.749991 N\n0.387489 0.525566 0.250010 N\n0.387487 0.974434 0.750007 N\n0.425331 0.526128 0.750005 N\n0.574665 0.473872 0.249996 N\n0.425335 0.973871 0.250005 N\n0.574667 0.026129 0.749994 N\n0.078542 0.749999 -0.000001 O\n0.921456 0.250001 0.500000 O\n0.764014 0.571176 0.749989 O\n0.235986 0.428825 0.250012 O\n0.764013 0.928828 0.249989 O\n0.235985 0.071173 0.750009 O\n0.391994 0.661308 0.750013 O\n0.608006 0.338693 0.249987 O\n0.391989 0.838692 0.250013 O\n0.608009 0.161309 0.749986 O\n0.262169 0.441346 0.750010 O\n0.737831 0.558655 0.249991 O\n0.262172 0.058651 0.250009 O\n0.737827 0.941349 0.749990 O\n0.078542 0.749998 0.500004 O\n0.921457 0.250003 0.999997 O\n",
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{
"id": "jvasp-98614",
"created_at": "2022-09-04T14:36:15.941607Z",
"updated_at": "2022-09-04T14:36:15.941623Z",
"structure_string": "Li4 Al4 Si4 H8 O20\n1.0\n4.950955 0.000000 0.000000\n0.000000 8.199109 0.000000\n0.000000 0.000000 11.364242\nLi Al Si H O\n4 4 4 8 20\ndirect\n-0.083921 0.019121 0.593901 Li\n-0.083921 0.480880 0.093901 Li\n0.416079 -0.019121 0.406099 Li\n0.416079 0.519121 0.906099 Li\n0.450138 0.658605 0.288726 Al\n-0.049862 0.158604 0.211274 Al\n0.450138 0.841396 0.788726 Al\n-0.049862 0.341396 0.711274 Al\n0.858754 0.693681 0.721751 Si\n0.358755 0.306319 0.278249 Si\n0.358755 0.193681 0.778249 Si\n0.858754 0.806319 0.221751 Si\n-0.018340 0.692981 0.953564 H\n0.481659 0.307019 0.046436 H\n0.702678 0.226993 0.445954 H\n0.202678 0.726993 0.054046 H\n-0.018340 0.807019 0.453564 H\n0.481659 0.192981 0.546435 H\n0.202678 0.773007 0.554046 H\n0.702678 0.273007 -0.054046 H\n0.141510 0.852729 0.495159 O\n0.182771 0.188518 0.650522 O\n0.674789 0.266204 0.262845 O\n0.682770 0.811482 0.349478 O\n0.641509 0.147271 0.504841 O\n-0.157289 -0.023274 0.149217 O\n0.174789 0.766204 0.237155 O\n0.342710 0.023274 0.850783 O\n0.188809 0.350915 0.833254 O\n0.188809 0.149085 0.333254 O\n0.174789 0.733796 0.737155 O\n0.674789 0.233796 0.762845 O\n0.141510 0.647271 0.995159 O\n0.688808 0.850915 0.666745 O\n0.682770 0.688518 0.849478 O\n0.182771 0.311482 0.150522 O\n0.688808 0.649085 0.166745 O\n0.641509 0.352729 0.004841 O\n0.342710 0.476726 0.350783 O\n-0.157289 0.523275 0.649217 O\n",
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"created_at": "2022-09-04T14:36:12.531456Z",
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"structure_string": "Ce4 B12 O24\n1.0\n4.248693 0.000287 0.000000\n-0.168765 7.269949 0.000000\n0.000000 0.000000 11.758589\nCe B O\n4 12 24\ndirect\n0.783036 0.616390 0.878431 Ce\n0.216962 0.883611 0.378431 Ce\n0.216963 0.383611 0.121569 Ce\n0.783036 0.116390 0.621569 Ce\n0.325862 0.786735 0.667179 B\n0.312653 0.423449 0.620791 B\n0.807814 0.625049 0.594389 B\n0.674136 0.213266 0.332822 B\n0.192183 0.874952 0.094389 B\n0.687345 0.576552 0.379209 B\n0.687346 0.076552 0.120791 B\n0.325863 0.286734 0.832822 B\n0.674136 0.713266 0.167178 B\n0.312652 0.923449 0.879209 B\n0.807815 0.125049 0.905611 B\n0.192184 0.374952 0.405611 B\n0.653334 0.949514 0.881222 O\n0.205571 0.814422 0.977204 O\n0.328885 0.238108 0.329409 O\n0.254569 0.937522 0.591224 O\n0.794427 0.685578 0.477204 O\n0.671113 0.761892 0.670591 O\n0.794428 0.185578 0.022796 O\n0.671114 0.261892 0.829409 O\n0.346664 0.550486 0.381222 O\n0.219694 0.303073 0.714773 O\n0.745428 0.562478 0.091224 O\n0.156526 0.108315 0.873387 O\n0.843473 0.391685 0.373387 O\n0.156525 0.608315 0.626613 O\n0.780304 0.696927 0.285227 O\n0.219693 0.803073 0.785227 O\n0.780305 0.196927 0.214773 O\n0.745429 0.062478 0.408776 O\n0.328884 0.738108 0.170591 O\n0.653334 0.449514 0.618778 O\n0.346665 0.050486 0.118778 O\n0.254570 0.437522 0.908776 O\n0.843472 0.891685 0.126613 O\n0.205571 0.314422 0.522796 O\n",
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{
"id": "jvasp-98309",
"created_at": "2022-09-04T14:36:19.375294Z",
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"structure_string": "Na8 P8 O24\n1.0\n5.607361 0.000000 1.784793\n2.803680 9.294104 0.892396\n-0.015234 0.000000 9.748700\nNa P O\n8 8 24\ndirect\n0.516336 0.268756 0.555749 Na\n0.714908 0.444250 0.768756 Na\n0.927915 0.055749 0.731243 Na\n0.072086 0.944250 0.268757 Na\n0.285093 0.555749 0.231244 Na\n0.340843 0.231243 0.944250 Na\n0.659158 0.768756 0.055750 Na\n0.483664 0.731243 0.444251 Na\n0.499407 0.059297 0.293787 P\n0.852491 0.440703 0.206213 P\n0.147509 0.559297 0.793787 P\n0.058704 0.293787 0.440703 P\n0.793194 0.206213 0.059297 P\n0.941296 0.706213 0.559297 P\n0.500594 0.940702 0.706213 P\n0.206807 0.793787 0.940703 P\n0.882648 0.582387 0.881542 O\n0.117352 0.417612 0.118458 O\n0.562405 0.141984 0.139456 O\n0.678195 0.589694 0.238694 O\n0.493417 0.089695 0.738694 O\n-0.034964 0.881542 0.917613 O\n0.156156 0.641984 0.639456 O\n0.437596 0.858015 0.860544 O\n0.767890 0.238694 0.910305 O\n0.764190 0.618457 0.582388 O\n0.204389 0.139456 0.358016 O\n0.034965 0.118458 0.082388 O\n0.346578 0.917612 0.618458 O\n0.298140 0.639456 0.858016 O\n0.083112 0.738694 0.410306 O\n0.701861 0.360544 0.141984 O\n0.235810 0.381542 0.417612 O\n0.653423 0.082388 0.381542 O\n0.843845 0.358016 0.360544 O\n0.321806 0.410305 0.761306 O\n0.916889 0.261306 0.589694 O\n0.506584 0.910305 0.261306 O\n0.232111 0.761306 0.089695 O\n0.795612 0.860544 0.641984 O\n",
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{
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"created_at": "2022-09-04T14:36:15.044894Z",
"updated_at": "2022-09-04T14:36:15.044928Z",
"structure_string": "Li2 Mg8 H26 Os4\n1.0\n4.719351 0.000000 -0.000000\n-2.359676 4.087066 -0.000000\n0.000000 -0.000000 18.376377\nLi Mg H Os\n2 8 26 4\ndirect\n0.333322 0.666644 0.250000 Li\n0.666678 0.333356 0.750000 Li\n-0.000001 -0.000001 0.350255 Mg\n0.000001 0.000001 0.649745 Mg\n0.000001 0.000001 0.850255 Mg\n-0.000001 -0.000001 0.149745 Mg\n0.333335 0.666670 0.947444 Mg\n0.666665 0.333331 0.052556 Mg\n0.666665 0.333331 0.447444 Mg\n0.333335 0.666670 0.552556 Mg\n0.500006 0.000012 0.161625 H\n-0.000024 0.499986 0.161624 H\n0.500010 0.499986 0.338376 H\n0.500006 0.000012 0.338375 H\n-0.000024 0.499986 0.338376 H\n0.499990 0.500015 0.661624 H\n0.333332 0.666666 0.394997 H\n0.000024 0.500015 0.661624 H\n0.000005 0.000010 0.250000 H\n-0.000005 -0.000010 0.750000 H\n0.500010 0.499986 0.161624 H\n0.666667 0.333335 0.605003 H\n0.499994 -0.000012 0.661625 H\n0.000024 0.500015 0.838376 H\n0.163733 0.836265 0.051208 H\n0.499990 0.500015 0.838376 H\n0.672531 0.836265 0.051208 H\n0.163734 0.327468 0.051208 H\n0.666667 0.333335 0.894997 H\n0.327468 0.163736 0.948792 H\n0.836266 0.672533 0.948793 H\n0.836266 0.163736 0.948792 H\n0.327468 0.163736 0.551208 H\n0.836266 0.672533 0.551208 H\n0.836266 0.163736 0.551208 H\n0.672531 0.836265 0.448792 H\n0.163734 0.327468 0.448793 Os\n0.163733 0.836265 0.448792 Os\n0.499994 -0.000012 0.838375 Os\n0.333332 0.666666 0.105003 Os\n",
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