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{
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"structure_string": "Na1 P1 O2\n1.0\n3.119579 -0.000000 0.000000\n-0.000000 3.119579 0.000000\n0.000000 0.000000 4.883729\nNa P O\n1 1 2\ndirect\n0.000000 0.000000 0.288991 Na\n0.500000 0.500000 0.811586 P\n0.000000 0.000000 0.772845 O\n0.500000 0.500000 0.126578 O\n",
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{
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"structure_string": "S2 N2\n1.0\n0.000000 0.000000 3.804322\n3.659412 0.000000 0.000000\n0.000000 3.659412 0.000000\nS N\n2 2\ndirect\n0.172174 0.000000 0.500000 S\n0.827825 0.500000 0.000000 S\n0.000000 0.500000 0.500000 N\n0.000000 0.000000 0.000000 N\n",
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{
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"structure_string": "Sc2 Al4\n1.0\n4.649008 -0.000000 2.684105\n1.549669 4.383126 2.684105\n-0.000000 -0.000000 5.368211\nSc Al\n2 4\ndirect\n0.875000 0.875001 0.875001 Sc\n0.125000 0.125000 0.125000 Sc\n0.500000 0.500000 0.500000 Al\n0.500000 0.500000 0.000001 Al\n-0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n",
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{
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"structure_string": "Sc2 Al4\n1.0\n-3.795900 -3.795900 0.000000\n-3.795900 -0.000000 -3.795900\n0.000000 -3.795900 -3.795900\nSc Al\n2 4\ndirect\n0.125000 0.125000 0.125000 Sc\n0.875000 0.875000 0.875000 Sc\n0.500000 0.500000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.500000 0.500000 Al\n",
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{
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"created_at": "2022-09-04T14:36:12.047315Z",
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"structure_string": "Ca4 Si10 N16\n1.0\n5.636627 0.000000 0.000000\n-2.818313 6.693892 -2.710677\n0.000000 0.001639 9.748914\nCa Si N\n4 10 16\ndirect\n0.236822 0.002496 0.002714 Ca\n0.862892 0.218618 0.197717 Ca\n0.355727 0.218618 0.697717 Ca\n0.765674 0.002496 0.502713 Ca\n0.253939 0.115401 0.353478 Si\n0.861463 0.115401 0.853477 Si\n0.546958 0.511056 0.317522 Si\n0.964098 0.511056 0.817522 Si\n0.257539 0.508265 0.062904 Si\n0.250727 0.508265 0.562904 Si\n0.155336 0.724745 0.368203 Si\n0.569410 0.724745 0.868203 Si\n0.853559 0.711524 0.126058 Si\n0.857967 0.711524 0.626058 Si\n0.623993 0.973464 0.930199 N\n0.277681 0.589111 0.914972 N\n0.139927 0.257083 0.497343 N\n0.553780 0.590607 0.169284 N\n0.036827 0.590607 0.669284 N\n0.056133 0.607104 0.175718 N\n0.550972 0.607104 0.675718 N\n0.984995 0.962741 0.217879 N\n0.977749 0.962741 0.717879 N\n0.820603 0.668765 0.934973 N\n0.848164 0.668765 0.434974 N\n0.477060 0.261819 0.272931 N\n0.784760 0.261819 0.772931 N\n0.311432 0.589111 0.414972 N\n0.117156 0.257083 0.997343 N\n0.349473 0.973464 0.430199 N\n",
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{
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"created_at": "2022-09-04T14:38:44.740952Z",
"updated_at": "2022-09-04T14:38:44.740977Z",
"structure_string": "Na12 Fe4 O12\n1.0\n5.740055 0.024936 0.040766\n-2.438874 5.275413 -0.024774\n-0.091623 0.018119 12.597118\nNa Fe O\n12 4 12\ndirect\n0.860660 0.307608 0.778702 Na\n0.639340 0.192407 0.278691 Na\n0.238830 0.782108 0.484093 Na\n0.360641 0.807619 0.721308 Na\n0.738866 0.282083 0.015928 Na\n0.761186 0.217900 0.515903 Na\n0.295979 0.360188 0.597869 Na\n0.204043 0.139795 0.097866 Na\n0.704024 0.639811 0.402137 Na\n0.795993 0.860191 0.902129 Na\n0.261169 0.717883 0.984090 Na\n0.139344 0.692398 0.221300 Na\n0.826349 0.743155 0.663087 Fe\n0.673621 0.756836 0.163071 Fe\n0.173635 0.256840 0.336912 Fe\n0.326377 0.243174 0.836928 Fe\n0.578252 0.549011 0.772287 O\n0.921730 0.950965 0.272288 O\n0.421723 0.450994 0.227705 O\n0.078258 0.049016 0.727719 O\n0.500508 0.953670 0.126841 O\n-0.000560 0.546342 0.626837 O\n0.120120 0.300309 0.938605 O\n0.379930 0.199714 0.438601 O\n0.879903 0.699698 0.061404 O\n0.620074 0.800279 0.561392 O\n0.499489 0.046348 0.873164 O\n0.000545 0.453660 0.373154 O\n",
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"volume": 382.2419946610314,
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{
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"created_at": "2022-09-04T14:36:43.119963Z",
"updated_at": "2022-09-04T14:36:43.119989Z",
"structure_string": "Ca3 Si1 Br2\n1.0\n4.144702 -0.000029 -1.261663\n-0.727299 5.340844 -2.389039\n0.051033 0.154940 7.605963\nCa Si Br\n3 1 2\ndirect\n0.358314 0.358313 0.716613 Ca\n0.000000 0.000000 0.000000 Ca\n0.641685 0.641686 0.283386 Ca\n-0.000000 0.500000 -0.000000 Si\n0.320171 0.820139 0.640279 Br\n0.679827 0.179861 0.359721 Br\n",
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"structure_string": "Ca3 Mg2 Fe1 C6 O18\n1.0\n4.845328 -0.003600 -0.007498\n-2.420066 5.386620 -1.022657\n0.015407 0.058882 12.384681\nCa Mg Fe C O\n3 2 1 6 18\ndirect\n0.661167 0.831896 0.831559 Ca\n0.338830 0.168103 0.168437 Ca\n-0.000002 0.500000 0.499998 Ca\n0.666590 0.834122 0.333586 Mg\n0.333407 0.165878 0.666410 Mg\n-0.000002 0.500000 -0.000002 Fe\n0.009560 0.518664 0.248927 C\n0.340610 0.184707 0.913633 C\n0.676980 0.851474 0.580794 C\n0.323018 0.148526 0.419202 C\n0.659387 0.815292 0.086363 C\n0.990437 0.481336 0.751069 C\n0.209181 0.601512 0.332091 O\n0.749290 0.530041 0.259742 O\n0.066753 0.415011 0.155947 O\n0.408806 0.094179 0.820151 O\n0.735080 0.754966 0.486556 O\n0.532885 0.264911 0.999113 O\n0.876336 0.930859 0.663853 O\n0.924961 0.812140 0.077236 O\n0.467113 0.735087 0.000883 O\n0.585006 0.140336 0.406846 O\n0.933244 0.584989 0.844050 O\n0.264917 0.245034 0.513440 O\n0.591192 0.905821 0.179846 O\n0.414992 0.859665 0.593150 O\n0.790816 0.398489 0.667906 O\n0.123661 0.069141 0.336144 O\n0.250708 0.469959 0.740254 O\n0.075036 0.187860 0.922760 O\n",
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{
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"created_at": "2022-09-04T14:36:43.342424Z",
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"structure_string": "Rb3 Tm1 Cl6\n1.0\n6.869606 -0.000000 3.966169\n2.289869 6.476726 3.966169\n0.000000 0.000000 7.932338\nRb Tm Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Tm\n0.770093 0.229908 0.229908 Cl\n0.229908 0.229908 0.770092 Cl\n0.229908 0.770093 0.770092 Cl\n0.229908 0.770093 0.229908 Cl\n0.770093 0.229908 0.770092 Cl\n0.770093 0.770093 0.229908 Cl\n",
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]
}