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{
"id": "jvasp-69751",
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"structure_string": "Mg2 Be1 Ni2\n1.0\n-1.873652 1.873652 5.604579\n1.873652 -1.873652 5.604579\n1.873652 1.873652 -5.604579\nMg Be Ni\n2 1 2\ndirect\n0.749999 0.250000 0.499999 Mg\n0.250000 0.749999 0.499999 Mg\n0.000000 0.000000 0.000000 Be\n0.597574 0.597574 0.000000 Ni\n0.402427 0.402427 0.000000 Ni\n",
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"structure_string": "Mg6 Ti1 Bi1\n1.0\n6.387425 0.143862 0.000000\n-3.069125 5.315878 0.000000\n0.000000 0.000000 5.264903\nMg Ti Bi\n6 1 1\ndirect\n0.664373 0.329570 0.250000 Mg\n0.664374 0.834804 0.250000 Mg\n0.339348 0.181704 0.750000 Mg\n0.339348 0.657645 0.750000 Mg\n0.845903 0.172952 0.750000 Mg\n0.821035 0.660518 0.750000 Mg\n0.163807 0.331903 0.250000 Ti\n0.161811 0.830904 0.250000 Bi\n",
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{
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"structure_string": "Mg1 Ni1 F6\n1.0\n4.336321 0.075538 2.870117\n1.581040 4.038526 2.870118\n0.108649 0.075537 5.198985\nMg Ni F\n1 1 6\ndirect\n0.500000 0.500001 0.500000 Mg\n0.000000 0.000000 0.000000 Ni\n0.378909 0.089670 0.769876 F\n0.089669 0.769878 0.378909 F\n0.230123 0.621092 0.910329 F\n0.910330 0.230125 0.621090 F\n0.621090 0.910332 0.230124 F\n0.769876 0.378910 0.089670 F\n",
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{
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"created_at": "2022-09-04T14:38:07.518738Z",
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"structure_string": "Li4 Si4 Ni4 O14\n1.0\n5.015066 0.000000 0.000000\n-2.507533 4.112912 0.000000\n0.000000 0.000000 13.057951\nLi Si Ni O\n4 4 4 14\ndirect\n0.341689 0.594450 0.583241 Li\n0.341689 0.594450 0.916759 Li\n0.747239 0.405549 0.416759 Li\n0.747239 0.405549 0.083241 Li\n0.398683 0.702607 0.363633 Si\n0.398683 0.702607 0.136367 Si\n0.696076 0.297393 0.636367 Si\n0.696076 0.297393 0.863632 Si\n0.014176 0.996356 0.750000 Ni\n0.017819 0.003643 0.250000 Ni\n0.040040 0.000000 0.000000 Ni\n0.040040 0.000000 0.500000 Ni\n0.327909 0.193188 0.864917 O\n0.752618 0.027729 0.130255 O\n0.752618 0.027729 0.369745 O\n0.848825 0.487234 0.750000 O\n0.327909 0.193188 0.635083 O\n0.367973 0.446906 0.449333 O\n0.134721 0.806812 0.135083 O\n0.724889 0.972271 0.630255 O\n0.724889 0.972271 0.869745 O\n0.361590 0.512765 0.250000 O\n0.134721 0.806812 0.364917 O\n0.921069 0.553094 0.949333 O\n0.367973 0.446906 0.050667 O\n0.921069 0.553094 0.550667 O\n",
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{
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"created_at": "2022-09-04T14:38:17.221749Z",
"updated_at": "2022-09-04T14:38:17.221784Z",
"structure_string": "Ca2 Zn1 Ga1\n1.0\n4.463859 -0.000000 2.577210\n1.487953 4.208566 2.577210\n-0.000000 -0.000000 5.154420\nCa Zn Ga\n2 1 1\ndirect\n0.750000 0.750001 0.750000 Ca\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Ga\n",
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{
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"updated_at": "2022-09-04T14:36:33.844521Z",
"structure_string": "K2 Li1 In1 F6\n1.0\n5.062035 0.000000 2.922567\n1.687345 4.772532 2.922567\n0.000000 0.000000 5.845135\nK Li In F\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.499999 0.500000 0.500001 Li\n0.000000 0.000000 0.000000 In\n0.746708 0.253291 0.253292 F\n0.253290 0.253291 0.746709 F\n0.253290 0.746709 0.746710 F\n0.253290 0.746709 0.253292 F\n0.746708 0.253291 0.746709 F\n0.746708 0.746709 0.253292 F\n",
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{
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"created_at": "2022-09-04T14:36:53.756767Z",
"updated_at": "2022-09-04T14:36:53.756782Z",
"structure_string": "Mn2 F8\n1.0\n2.929326 -0.000000 0.000000\n0.000000 4.526094 0.000000\n-0.000000 -0.000000 8.884203\nMn F\n2 8\ndirect\n0.000000 0.000000 0.000000 Mn\n-0.000000 0.500000 0.500000 Mn\n-0.000000 0.290448 0.131844 F\n-0.000000 0.790447 0.368156 F\n0.500001 0.177510 0.898788 F\n0.500001 0.322489 0.398788 F\n0.500001 0.677510 0.601212 F\n0.500001 0.822489 0.101212 F\n-0.000000 0.209552 0.631844 F\n-0.000000 0.709551 0.868156 F\n",
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{
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"created_at": "2022-09-04T14:37:26.930547Z",
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"structure_string": "K2 Na1 Sb1 I6\n1.0\n7.409204 -0.000000 4.277706\n2.469735 6.985465 4.277706\n-0.000000 -0.000000 8.555412\nK Na Sb I\n2 1 1 6\ndirect\n0.749999 0.749999 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500001 Na\n0.000000 0.000000 0.000000 Sb\n0.751648 0.248352 0.248353 I\n0.248352 0.248352 0.751648 I\n0.248351 0.751648 0.751649 I\n0.248351 0.751648 0.248353 I\n0.751648 0.248352 0.751649 I\n0.751647 0.751648 0.248353 I\n",
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{
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"created_at": "2022-09-04T14:38:05.554826Z",
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"structure_string": "Li2 Fe2 P2 O8\n1.0\n4.939422 -0.171251 0.017274\n-1.049742 -5.030730 -0.128996\n-1.719636 0.161524 -5.674280\nLi Fe P O\n2 2 2 8\ndirect\n0.725411 0.688619 0.039841 Li\n0.274590 0.311381 -0.039840 Li\n0.012151 0.790319 0.623128 Fe\n-0.012152 0.209682 0.376873 Fe\n0.345815 0.808092 0.228402 P\n0.654184 0.191909 0.771599 P\n0.206347 0.631225 0.398868 O\n0.317107 0.147955 0.684183 O\n0.728638 0.326501 0.014956 O\n0.239555 0.076259 0.202212 O\n0.760445 0.923742 0.797789 O\n0.271363 0.673499 -0.014955 O\n0.682893 0.852045 0.315818 O\n0.793653 0.368776 0.601133 O\n",
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{
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{
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"structure_string": "Ba1 Ca1 Cd1\n1.0\n-0.000000 4.024586 4.024586\n4.024586 -0.000000 4.024586\n4.024586 4.024586 -0.000000\nBa Ca Cd\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Cd\n",
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