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{
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"structure_string": "Mg7 Ti1 H16\n1.0\n4.674642 4.674642 0.000118\n0.000098 4.674662 4.674662\n4.674650 0.000111 4.674650\nMg Ti H\n7 1 16\ndirect\n0.500004 0.500000 0.499998 Mg\n0.500001 -0.000001 -0.000003 Mg\n0.499999 0.500001 0.000000 Mg\n0.499996 0.000000 0.500006 Mg\n0.000002 0.499999 0.499997 Mg\n-0.000004 0.000004 0.500000 Mg\n-0.000001 0.499999 0.000004 Mg\n0.000009 -0.000007 -0.000003 Ti\n0.373200 0.373202 0.880397 H\n0.880397 0.373201 0.373200 H\n0.626799 0.626796 0.626797 H\n0.626797 0.119605 0.626800 H\n0.626799 0.626800 0.119602 H\n0.119603 0.626798 0.626799 H\n0.120682 0.120679 0.120681 H\n0.879321 0.879318 0.879319 H\n0.120680 0.120685 0.637951 H\n0.637947 0.120682 0.120684 H\n0.373200 0.880396 0.373203 H\n0.879317 0.362049 0.879319 H\n0.879313 0.879318 0.362051 H\n0.362049 0.879316 0.879317 H\n0.120682 0.637952 0.120684 H\n0.373205 0.373202 0.373202 H\n",
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{
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"structure_string": "Li1 N3\n1.0\n3.122627 -0.005097 0.742363\n1.401989 2.790207 0.742363\n-0.065205 -0.040136 4.877534\nLi N\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.615497 0.615495 0.260070 N\n0.384507 0.384504 0.739928 N\n0.500002 0.499999 0.499999 N\n",
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{
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"structure_string": "Na3 Cl2\n1.0\n0.000000 0.000000 -3.473793\n0.000000 -3.482148 0.000000\n-10.086324 1.741074 0.000000\nNa Cl\n3 2\ndirect\n0.000000 0.500000 0.000000 Na\n0.000000 0.331105 0.662209 Na\n0.000000 0.668896 0.337791 Na\n0.500000 0.913983 0.827964 Cl\n0.500000 0.086019 0.172036 Cl\n",
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"structure_string": "K1 Zn1\n1.0\n3.689417 0.000000 -0.000000\n-0.000000 3.689417 0.000000\n-0.000000 0.000000 6.696483\nK Zn\n1 1\ndirect\n0.000000 0.000000 0.749955 K\n0.000000 0.000000 0.250045 Zn\n",
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"structure_string": "C6 S4 O4\n1.0\n4.414116 -0.089355 -0.200820\n-0.344800 5.024310 -0.371853\n-0.302712 -0.047335 10.424219\nC S O\n6 4 4\ndirect\n0.669943 0.150463 0.204693 C\n0.669945 0.650464 0.704693 C\n0.159960 0.612603 0.804055 C\n0.159961 0.112605 0.304055 C\n0.369931 0.264249 0.223772 C\n0.369934 0.764247 0.723773 C\n0.250384 0.380097 0.892045 S\n0.250383 0.880100 0.392046 S\n0.722035 0.971397 0.074114 S\n0.722037 0.471397 0.574114 S\n0.303338 0.468002 0.175405 O\n0.303340 0.968000 0.675406 O\n0.872379 0.216352 0.308622 O\n0.872379 0.716348 0.808623 O\n",
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"created_at": "2022-09-04T14:37:08.465482Z",
"updated_at": "2022-09-04T14:37:08.465508Z",
"structure_string": "H8 N2 Cl2 O4\n1.0\n6.346930 0.000000 0.000000\n0.000000 6.346930 0.000000\n0.000000 0.000000 3.699167\nH N Cl O\n8 2 2 4\ndirect\n0.370432 0.459678 0.336984 H\n0.129568 0.959678 0.663016 H\n0.629568 0.540322 0.336984 H\n0.870432 0.040322 0.663016 H\n0.540322 0.370432 0.663016 H\n0.959678 0.870432 0.336984 H\n0.459678 0.629568 0.663016 H\n0.040322 0.129568 0.336984 H\n0.500000 0.500000 0.500000 N\n0.000000 0.000000 0.500000 N\n0.000000 0.500000 0.862348 Cl\n0.500000 0.000000 0.137652 Cl\n0.647028 0.147028 0.898206 O\n0.852972 0.647028 0.101795 O\n0.352972 0.852972 0.898206 O\n0.147028 0.352972 0.101795 O\n",
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"structure_string": "Cr4 N8\n1.0\n0.000000 0.000000 -5.656141\n-1.064671 -6.945417 -2.828070\n-6.994716 0.668056 -2.828070\nCr N\n4 8\ndirect\n0.915110 0.928959 0.239003 Cr\n0.083072 0.071041 0.760998 Cr\n0.583072 0.260997 0.571042 Cr\n0.415110 0.739003 0.428959 Cr\n0.701707 0.797387 0.297060 N\n0.796154 0.202613 0.702941 N\n0.296154 0.202940 0.702613 N\n0.201707 0.797060 0.297387 N\n0.749122 0.125699 0.374301 N\n0.249121 0.874301 0.625699 N\n-0.000585 0.000000 0.000000 N\n0.499415 0.500000 0.500000 N\n",
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"structure_string": "Si24 O48\n1.0\n10.789791 -0.000000 0.000000\n0.000000 10.789791 0.000000\n0.000000 0.000000 10.789791\nSi O\n24 48\ndirect\n0.250000 0.136761 0.363239 Si\n0.636761 0.250000 0.136761 Si\n0.250000 0.863239 0.363239 Si\n0.363239 0.750000 0.136761 Si\n0.863239 0.636761 0.750000 Si\n0.750000 0.863239 0.636761 Si\n0.750000 0.136761 0.363239 Si\n0.636761 0.750000 0.136761 Si\n0.250000 0.863239 0.636761 Si\n0.136761 0.636761 0.250000 Si\n0.750000 0.136761 0.636761 Si\n0.750000 0.863239 0.363239 Si\n0.636761 0.750000 0.863239 Si\n0.136761 0.636761 0.750000 Si\n0.863239 0.363239 0.750000 Si\n0.363239 0.250000 0.136761 Si\n0.636761 0.250000 0.863239 Si\n0.363239 0.250000 0.863239 Si\n0.136761 0.363239 0.250000 Si\n0.250000 0.136761 0.636761 Si\n0.363239 0.750000 0.863239 Si\n0.863239 0.363239 0.250000 Si\n0.136761 0.363239 0.750000 Si\n0.863239 0.636761 0.250000 Si\n0.000000 0.647524 0.184446 O\n0.315554 0.852476 0.500000 O\n0.750000 0.649970 0.149970 O\n0.149970 0.750000 0.649970 O\n0.647524 0.184446 0.000000 O\n0.750000 0.350029 0.850030 O\n0.147524 0.500000 0.684446 O\n0.684446 0.147524 0.500000 O\n0.647524 0.815554 0.000000 O\n0.149970 0.250000 0.350029 O\n0.649970 0.850030 0.750000 O\n0.250000 0.649970 0.149970 O\n0.149970 0.750000 0.350029 O\n0.750000 0.649970 0.850030 O\n0.184446 0.000000 0.647524 O\n0.250000 0.350029 0.850030 O\n0.815554 0.000000 0.647524 O\n0.852476 0.500000 0.684446 O\n0.147524 0.500000 0.315554 O\n0.149970 0.250000 0.649970 O\n0.500000 0.684446 0.147524 O\n0.815554 0.000000 0.352476 O\n0.684446 0.852476 0.500000 O\n0.350029 0.850030 0.250000 O\n0.850030 0.250000 0.649970 O\n0.350029 0.149970 0.750000 O\n0.850030 0.750000 0.350029 O\n0.649970 0.149970 0.750000 O\n0.500000 0.315554 0.147524 O\n0.350029 0.149970 0.250000 O\n0.000000 0.352476 0.815554 O\n0.000000 0.647524 0.815554 O\n0.500000 0.684446 0.852476 O\n0.750000 0.350029 0.149970 O\n0.649970 0.149970 0.250000 O\n0.350029 0.850030 0.750000 O\n0.850030 0.250000 0.350029 O\n0.184446 0.000000 0.352476 O\n0.352476 0.815554 0.000000 O\n0.250000 0.649970 0.850030 O\n0.315554 0.147524 0.500000 O\n0.000000 0.352476 0.184446 O\n0.649970 0.850030 0.250000 O\n0.852476 0.500000 0.315554 O\n0.352476 0.184446 0.000000 O\n0.500000 0.315554 0.852476 O\n0.850030 0.750000 0.649970 O\n0.250000 0.350029 0.149970 O\n",
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