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{
"id": "jvasp-116396",
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"updated_at": "2022-09-04T14:38:42.794770Z",
"structure_string": "Si1 Pb1 O1\n1.0\n4.622994 -0.000000 0.000000\n-2.311497 4.003631 -0.000000\n-0.000000 -0.000000 3.122495\nSi Pb O\n1 1 1\ndirect\n0.666665 0.333333 0.000000 Si\n0.333332 0.666667 0.000000 Pb\n0.000000 0.000000 0.000000 O\n",
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{
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{
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"structure_string": "Ge1 Cl3\n1.0\n6.685160 1.915663 0.633960\n2.880840 -2.779193 -0.984198\n-2.963491 -6.149067 -6.612928\nGe Cl\n1 3\ndirect\n0.098938 -0.110408 0.019717 Ge\n0.753206 0.442053 0.351569 Cl\n0.277350 -0.097704 0.858877 Cl\n0.549199 0.063240 0.642847 Cl\n",
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{
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"created_at": "2022-09-04T14:38:42.785130Z",
"updated_at": "2022-09-04T14:38:42.785157Z",
"structure_string": "Mn2 C2 S2 O14\n1.0\n6.139445 0.000000 0.000000\n0.000000 5.012321 0.413574\n0.000000 0.252639 7.829315\nMn C S O\n2 2 2 14\ndirect\n0.250000 0.207394 0.693269 Mn\n0.750001 0.792606 0.306730 Mn\n0.250000 0.287933 0.980672 C\n0.750001 0.712067 0.019327 C\n0.750001 0.261194 0.583166 S\n0.250000 0.738806 0.416833 S\n0.750001 0.529133 0.159990 O\n0.061546 0.809557 0.303410 O\n0.438454 0.809557 0.303410 O\n0.750001 0.113108 0.432575 O\n0.250000 0.448105 0.476592 O\n0.750001 0.551895 0.523407 O\n0.938455 0.190443 0.696588 O\n0.561547 0.190443 0.696588 O\n0.750001 0.952584 0.079859 O\n0.250000 0.470867 0.840009 O\n0.250000 0.047416 0.920140 O\n0.750001 0.666705 0.871173 O\n0.250000 0.886892 0.567424 O\n0.250000 0.333295 0.128825 O\n",
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{
"id": "jvasp-114795",
"created_at": "2022-09-04T14:38:42.783867Z",
"updated_at": "2022-09-04T14:38:42.783884Z",
"structure_string": "Na1 Y1 Cl1\n1.0\n3.468454 0.000000 0.000000\n0.000000 3.468454 -0.000000\n-0.000000 -0.000000 8.589955\nNa Y Cl\n1 1 1\ndirect\n0.000000 0.000000 0.591856 Na\n0.000000 0.000000 -0.002360 Y\n0.000000 0.000000 0.287809 Cl\n",
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{
"id": "jvasp-112018",
"created_at": "2022-09-04T14:38:42.783750Z",
"updated_at": "2022-09-04T14:38:42.783770Z",
"structure_string": "H10 C16 S2 N2 O2\n1.0\n3.611943 -0.008078 0.133957\n1.006654 8.722844 2.979385\n-0.013755 -0.135482 10.213688\nH C S N O\n10 16 2 2 2\ndirect\n0.217100 0.664234 0.812363 H\n0.243237 0.006173 0.153382 H\n0.676245 0.771200 0.637707 H\n0.676243 0.271200 0.137706 H\n0.693537 0.612387 0.479512 H\n0.243238 0.506173 0.653382 H\n0.593329 0.183383 0.491697 H\n0.593328 0.683383 0.991698 H\n0.217099 0.164234 0.312363 H\n0.693536 0.112388 0.979512 H\n0.477473 0.800424 0.305595 C\n0.333608 0.955499 0.259924 C\n0.333610 0.455500 0.759923 C\n0.317017 0.042763 0.348052 C\n0.317017 0.542763 0.848052 C\n0.454444 0.084504 0.683832 C\n0.454442 0.584504 0.183833 C\n0.477474 0.300425 0.805595 C\n0.580188 0.732113 0.444154 C\n0.452902 0.477507 0.983184 C\n0.580188 0.232114 0.944154 C\n0.569857 0.820779 0.533175 C\n0.569855 0.320779 0.033175 C\n0.572851 0.234234 0.692179 C\n0.572849 0.734234 0.192180 C\n0.452902 0.977507 0.483184 C\n0.264304 0.460461 0.314187 S\n0.264304 0.960461 0.814187 S\n0.505956 0.582427 0.053177 N\n0.505958 0.082427 0.553177 N\n0.741902 0.811817 0.092100 O\n0.741903 0.311817 0.592100 O\n",
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"formula_full": "H10 C16 S2 N2 O2",
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{
"id": "jvasp-112632",
"created_at": "2022-09-04T14:38:42.779184Z",
"updated_at": "2022-09-04T14:38:42.779216Z",
"structure_string": "Ta4 Cu2 O12\n1.0\n6.194751 -0.003953 -2.151230\n-3.040470 5.345894 -2.275898\n-0.010225 0.003953 6.557639\nTa Cu O\n4 2 12\ndirect\n-0.000000 0.500000 -0.000000 Ta\n0.499999 0.500000 0.500000 Ta\n-0.000001 -0.000000 0.500000 Ta\n0.500000 0.000000 0.000000 Ta\n0.500000 -0.000000 0.500000 Cu\n-0.000001 0.499999 0.499999 Cu\n0.316147 0.187147 0.503295 O\n0.683851 0.812852 0.496704 O\n0.488427 0.293968 0.194459 O\n0.511572 0.706031 0.805540 O\n0.099507 0.293968 0.805541 O\n0.822954 0.130230 0.307275 O\n0.177044 0.869769 0.692724 O\n0.683851 0.187147 0.871000 O\n0.822954 0.515679 0.692724 O\n0.177045 0.484320 0.307275 O\n0.900491 0.706032 0.194458 O\n0.316147 0.812852 0.128999 O\n",
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{
"id": "jvasp-116381",
"created_at": "2022-09-04T14:38:42.778904Z",
"updated_at": "2022-09-04T14:38:42.778933Z",
"structure_string": "Ca1 As1 Au1\n1.0\n2.980910 -0.000000 -0.000000\n0.000000 2.980910 -0.000000\n-0.000000 0.000000 8.311484\nCa As Au\n1 1 1\ndirect\n0.000000 0.000000 0.006892 Ca\n0.000000 0.000000 0.349600 As\n0.000000 0.000000 0.667215 Au\n",
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{
"id": "jvasp-112045",
"created_at": "2022-09-04T14:38:42.778155Z",
"updated_at": "2022-09-04T14:38:42.778174Z",
"structure_string": "Ti1 H22 C12 O4\n1.0\n4.739351 -0.053845 1.072321\n0.348524 7.181407 1.554908\n-0.115067 -0.376335 9.645480\nTi H C O\n1 22 12 4\ndirect\n0.223274 0.286258 0.837093 Ti\n0.909471 0.358577 0.182126 H\n0.667930 0.183535 0.249230 H\n0.011826 0.074166 0.468140 H\n0.506259 0.441210 0.386507 H\n0.565870 0.989907 0.927343 H\n0.525155 0.676399 0.088682 H\n0.348268 0.749096 0.248009 H\n0.064910 0.628913 0.913304 H\n0.807887 0.884063 0.162265 H\n0.984039 0.666233 0.167837 H\n0.266237 0.425764 0.275875 H\n0.010597 0.820765 0.374215 H\n0.117250 0.623013 0.723793 H\n0.679009 0.192369 0.458812 H\n0.260567 0.009651 0.066124 H\n0.764571 0.823803 0.651587 H\n0.443522 -0.042597 0.661159 H\n0.403489 0.737976 0.512314 H\n0.470203 0.948609 0.395827 H\n0.414826 0.636879 0.806511 H\n0.860909 0.605236 0.433719 H\n0.228493 0.926032 0.906638 H\n0.688141 0.327101 0.192797 C\n0.822105 0.745917 0.377193 C\n0.483185 0.460585 0.273692 C\n0.527844 0.662323 0.203836 C\n0.798140 0.741500 0.221315 C\n0.566963 0.838571 0.466464 C\n0.636480 0.319024 0.044970 C\n0.800343 0.102571 0.529646 C\n0.824502 0.211846 0.644588 C\n0.207212 0.580251 0.821450 C\n0.337653 0.022719 0.949891 C\n0.639148 0.923929 0.588254 C\n0.068318 0.223641 0.672194 O\n0.854619 0.275816 0.950939 O\n0.394086 0.342742 0.018584 O\n0.602449 0.291879 0.707312 O\n",
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{
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"structure_string": "Sn2 H8 C4 F4\n1.0\n4.290473 -0.142703 0.025204\n1.690745 4.084764 0.733509\n-0.078097 0.061539 9.827356\nSn H C F\n2 8 4 4\ndirect\n0.853086 0.365795 0.988911 Sn\n0.175558 0.104015 0.507894 Sn\n0.216533 0.922410 0.192936 H\n0.239139 0.434733 0.266267 H\n0.812103 0.547462 0.303888 H\n0.789493 0.035154 0.230552 H\n0.892095 0.608934 0.725947 H\n0.136573 0.860909 0.770868 H\n0.400196 0.087690 0.762461 H\n0.628458 0.382169 0.734338 H\n0.874256 0.374327 0.768290 C\n0.989523 0.126975 0.201603 C\n0.039108 0.342905 0.295208 C\n0.154400 0.095518 0.728511 C\n0.698957 0.989718 0.504530 F\n0.329703 0.480095 0.992207 F\n0.699961 0.854689 0.993569 F\n0.328759 0.615112 0.503262 F\n",
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{
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}