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{
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"structure_string": "Th6 Co1 Br15\n1.0\n9.418296 -0.000000 -3.329871\n-4.709147 8.156484 -3.329871\n0.000000 0.000000 9.989611\nTh Co Br\n6 1 15\ndirect\n-0.000000 0.240691 0.240691 Th\n0.759309 0.000000 0.759308 Th\n0.759308 0.759308 -0.000000 Th\n0.240692 0.240691 -0.000000 Th\n-0.000000 0.759308 0.759308 Th\n0.240692 0.000000 0.240692 Th\n0.000000 0.000000 0.000000 Co\n0.509144 0.254572 0.254573 Br\n-0.000000 0.254572 0.745427 Br\n0.745428 0.000000 0.254573 Br\n0.254572 0.745427 -0.000000 Br\n0.745428 0.254572 0.000000 Br\n0.254573 0.254572 0.509144 Br\n-0.000000 0.745427 0.254572 Br\n0.745427 0.745427 0.490856 Br\n0.490856 0.745427 0.745427 Br\n0.745428 0.490856 0.745427 Br\n-0.000000 0.500000 0.500000 Br\n0.500000 0.000000 0.500000 Br\n0.500000 0.500000 -0.000000 Br\n0.254572 0.509144 0.254572 Br\n0.254573 -0.000000 0.745427 Br\n",
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{
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{
"id": "jvasp-20919",
"created_at": "2022-09-04T14:38:16.500777Z",
"updated_at": "2022-09-04T14:38:16.500797Z",
"structure_string": "Mg6 Al36 Cr4\n1.0\n8.902847 -0.000000 5.140062\n2.967616 8.393685 5.140062\n-0.000000 -0.000000 10.280122\nMg Al Cr\n6 36 4\ndirect\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 -0.000000 Mg\n0.500000 0.500000 0.499999 Mg\n0.625000 0.625000 0.624999 Mg\n0.375000 0.375000 0.375000 Mg\n0.985049 0.264951 0.985048 Al\n0.558141 0.824754 0.292352 Al\n0.824753 0.558141 0.292352 Al\n0.824754 0.824754 0.558140 Al\n0.824754 0.824754 0.292352 Al\n0.292353 0.824754 0.824752 Al\n0.824753 0.292353 0.824752 Al\n0.707647 0.441859 0.175246 Al\n0.735049 0.014951 0.014951 Al\n0.175247 0.175247 0.441859 Al\n0.175247 0.707647 0.441859 Al\n0.985049 0.985049 0.264950 Al\n0.264951 0.264951 0.985048 Al\n0.985049 0.264951 0.264951 Al\n0.264952 0.985049 0.264951 Al\n0.014951 0.735049 0.014951 Al\n0.441860 0.707647 0.175246 Al\n0.707647 0.175247 0.441859 Al\n0.175247 0.441859 0.707646 Al\n0.175247 0.175247 0.707647 Al\n0.014951 0.014951 0.735049 Al\n0.735049 0.735049 0.014951 Al\n0.735049 0.014951 0.735048 Al\n0.264952 0.985049 0.985048 Al\n0.014951 0.735049 0.735048 Al\n0.175247 0.441859 0.175247 Al\n0.824753 0.292353 0.558140 Al\n0.558141 0.824754 0.824752 Al\n0.824753 0.558141 0.824752 Al\n0.292353 0.824754 0.558140 Al\n0.292353 0.558141 0.824752 Al\n0.558141 0.292353 0.824753 Al\n0.707647 0.175247 0.175247 Al\n0.441859 0.175247 0.175247 Al\n0.441859 0.175247 0.707646 Al\n0.175247 0.707647 0.175246 Al\n0.500000 0.000000 -0.000000 Cr\n0.000000 0.000000 0.500000 Cr\n0.000000 0.500000 -0.000000 Cr\n0.000000 0.000000 0.000000 Cr\n",
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{
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"created_at": "2022-09-04T14:38:35.092674Z",
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"structure_string": "Re2 Se4 Cl24\n1.0\n8.067667 0.027235 -2.718029\n-1.729017 7.880260 -2.718029\n-0.022787 -0.028428 12.096931\nRe Se Cl\n2 4 24\ndirect\n0.419635 0.919635 0.839271 Re\n0.669635 0.669635 0.339271 Re\n0.215316 0.273899 0.006450 Se\n0.791133 0.732550 0.006450 Se\n0.023899 0.465316 0.506450 Se\n0.482551 0.041133 0.506450 Se\n0.694128 0.040296 -0.000732 Cl\n0.219153 0.035716 0.499362 Cl\n0.454976 0.125781 0.346577 Cl\n0.544971 0.882124 0.686377 Cl\n0.141407 0.804253 0.686377 Cl\n0.614566 0.292324 0.659981 Cl\n0.970796 0.141601 0.846577 Cl\n0.942612 0.633884 0.339048 Cl\n0.280209 0.463646 0.499362 Cl\n0.875781 0.704975 0.846577 Cl\n0.117656 0.295414 0.159981 Cl\n0.785716 0.469153 0.999362 Cl\n0.790297 0.944127 0.499267 Cl\n0.213646 0.530208 0.999362 Cl\n0.383885 0.192612 0.839048 Cl\n0.554254 0.391407 0.186377 Cl\n0.305140 0.958971 -0.000732 Cl\n0.042325 0.864566 0.159981 Cl\n0.396434 0.705163 0.339048 Cl\n0.632125 0.794971 0.186377 Cl\n0.708971 0.555140 0.499267 Cl\n0.891601 0.220796 0.346577 Cl\n0.045414 0.367656 0.659981 Cl\n0.455163 0.646434 0.839048 Cl\n",
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{
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"updated_at": "2022-09-04T14:38:11.147955Z",
"structure_string": "K14 Nb2 As8\n1.0\n8.234040 0.000000 0.000000\n0.000000 9.167959 0.000000\n0.000000 0.000000 10.180146\nK Nb As\n14 2 8\ndirect\n0.704731 0.833013 0.715549 K\n0.895044 0.089046 0.500000 K\n0.395044 0.910954 0.000000 K\n0.868568 0.038915 0.000000 K\n0.659833 0.341067 0.000000 K\n0.159833 0.658933 0.500000 K\n0.875595 0.464142 0.290446 K\n0.368568 0.961085 0.500000 K\n0.375595 0.535858 0.790447 K\n0.875595 0.464142 0.709554 K\n0.704731 0.833013 0.284451 K\n0.204731 0.166987 0.215549 K\n0.204731 0.166987 0.784451 K\n0.375595 0.535858 0.209554 K\n0.000225 0.677406 0.000000 Nb\n0.500225 0.322594 0.500000 Nb\n0.579589 0.588876 0.500000 As\n0.696162 0.683764 0.000000 As\n0.196162 0.316236 0.500000 As\n0.096269 0.811782 0.793313 As\n0.596269 0.188219 0.706688 As\n0.596269 0.188219 0.293313 As\n0.096269 0.811782 0.206687 As\n0.079589 0.411124 0.000000 As\n",
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{
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"created_at": "2022-09-04T14:37:08.086743Z",
"updated_at": "2022-09-04T14:37:08.086762Z",
"structure_string": "Ba2 Ca4 I12\n1.0\n0.000000 7.183653 -0.056217\n7.998706 0.000000 0.000000\n0.000000 -5.996697 -13.331781\nBa Ca I\n2 4 12\ndirect\n0.000000 0.000000 0.000000 Ba\n-0.000000 0.500000 0.500000 Ba\n0.661761 0.617332 0.744187 Ca\n0.338238 0.117332 0.755813 Ca\n0.661761 0.882668 0.244187 Ca\n0.338238 0.382668 0.255813 Ca\n0.922230 0.556499 0.251801 I\n0.077769 0.056498 0.248199 I\n0.536419 0.682489 0.400559 I\n0.700548 0.156064 0.406587 I\n0.299452 0.843937 0.593413 I\n0.077769 0.443502 0.748199 I\n0.922230 0.943502 0.751801 I\n0.463580 0.182489 0.099441 I\n0.536419 0.817512 0.900559 I\n0.700547 0.343937 0.906587 I\n0.463580 0.317511 0.599441 I\n0.299452 0.656064 0.093413 I\n",
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"structure_string": "Ba2 Ca4 I12\n1.0\n0.000000 7.688241 0.066255\n8.658168 0.000000 0.000000\n0.000000 -7.588680 -11.615176\nBa Ca I\n2 4 12\ndirect\n0.051493 0.363918 0.498325 Ba\n0.051493 0.636083 -0.001675 Ba\n0.263162 0.759141 0.744570 Ca\n0.770630 0.759263 0.252084 Ca\n0.263162 0.240859 0.244570 Ca\n0.770630 0.240737 0.752084 Ca\n0.645865 0.196484 0.498317 I\n0.538224 0.434740 0.185223 I\n0.856644 0.720354 0.498329 I\n0.164447 0.434638 0.811484 I\n0.998165 0.071761 0.315343 I\n0.538224 0.565260 0.685223 I\n0.645865 0.803516 0.998317 I\n0.363998 0.928382 0.181161 I\n0.856643 0.279646 -0.001671 I\n0.164447 0.565362 0.311484 I\n0.363998 0.071618 0.681162 I\n0.998165 0.928239 0.815343 I\n",
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"structure_string": "Mo2 Se4 Cl24\n1.0\n8.064573 0.020631 -2.719102\n-1.733330 7.876124 -2.719102\n-0.010549 -0.013157 12.106578\nMo Se Cl\n2 4 24\ndirect\n0.123354 0.623354 0.246708 Mo\n0.873354 0.873354 0.746708 Mo\n0.935725 0.994844 0.413116 Se\n0.244844 0.685725 0.913116 Se\n0.477389 0.418271 0.413116 Se\n0.668271 0.227388 0.913116 Se\n0.594802 0.756730 0.593577 Cl\n0.239200 0.422701 0.907201 Cl\n0.067066 0.246046 0.567125 Cl\n0.758595 0.912367 0.907364 Cl\n0.086847 0.748775 0.093577 Cl\n0.148767 0.994996 0.907364 Cl\n0.496046 0.817066 0.067125 Cl\n0.908433 0.080706 0.253795 Cl\n0.399839 0.585846 0.247418 Cl\n0.734500 0.418000 0.407201 Cl\n0.847578 0.661571 0.247418 Cl\n0.345361 0.173088 0.253795 Cl\n0.571079 0.250059 0.067125 Cl\n0.668000 0.484500 0.907201 Cl\n0.672701 0.989200 0.407201 Cl\n0.330706 0.658433 0.753795 Cl\n0.998774 0.836846 0.593578 Cl\n0.500059 0.321078 0.567125 Cl\n0.835846 0.149839 0.747418 Cl\n0.162367 0.508596 0.407364 Cl\n0.244996 0.898767 0.407364 Cl\n0.006730 0.344802 0.093577 Cl\n0.423088 0.095361 0.753795 Cl\n0.911571 0.597578 0.747418 Cl\n",
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{
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"updated_at": "2022-09-04T14:37:08.485419Z",
"structure_string": "K12 Ga4 S12\n1.0\n7.730199 -0.037233 0.000000\n-1.601452 7.992286 0.000000\n0.000000 0.000000 12.457551\nK Ga S\n12 4 12\ndirect\n0.268243 0.609009 0.095176 K\n0.231757 0.890992 0.595176 K\n0.731757 0.390992 0.904824 K\n0.768243 0.109008 0.404824 K\n0.288324 0.427555 0.814567 K\n0.211677 0.072445 0.314567 K\n0.711677 0.572446 0.185433 K\n0.788324 0.927556 0.685433 K\n0.148213 0.524621 0.377671 K\n0.351788 0.975380 0.877671 K\n0.851788 0.475380 0.622329 K\n0.648213 0.024621 0.122329 K\n0.601589 0.665250 0.437163 Ga\n0.898412 0.834751 0.937163 Ga\n0.398412 0.334751 0.562837 Ga\n0.101589 0.165250 0.062837 Ga\n0.468602 0.625253 0.607263 S\n0.031399 0.874748 0.107263 S\n0.531399 0.374748 0.392737 S\n0.968602 0.125253 0.892737 S\n0.464670 0.810217 0.318841 S\n0.035330 0.689784 0.818840 S\n0.535330 0.189784 0.681159 S\n0.964670 0.310217 0.181159 S\n0.895620 0.766285 0.448828 S\n0.604381 0.733717 0.948828 S\n0.104381 0.233716 0.551172 S\n0.395620 0.266284 0.051172 S\n",
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{
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"created_at": "2022-09-04T14:35:49.828075Z",
"updated_at": "2022-09-04T14:35:49.828101Z",
"structure_string": "Sr2 Ca4 I12\n1.0\n0.000000 7.186382 0.000000\n-12.454717 3.593191 -1.379834\n0.657333 0.000000 8.679060\nSr Ca I\n2 4 12\ndirect\n0.702616 0.000000 0.750000 Sr\n0.297384 0.000000 0.250000 Sr\n0.404239 0.657733 0.895947 Ca\n0.938027 0.657733 0.395947 Ca\n0.061972 0.342268 0.604053 Ca\n0.595760 0.342267 0.104053 Ca\n0.898676 0.211632 0.317135 I\n0.889692 0.211632 0.817135 I\n0.274292 0.450925 0.380181 I\n0.274782 0.450926 0.880181 I\n0.725217 0.549075 0.119820 I\n0.101324 0.788368 0.682866 I\n0.110307 0.788368 0.182866 I\n0.436250 0.158501 0.532781 I\n0.563750 0.841499 0.467219 I\n0.594749 0.841500 0.967219 I\n0.725707 0.549075 0.619820 I\n0.405250 0.158501 0.032781 I\n",
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