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{
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{
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"structure_string": "Ca2 Mg4\n1.0\n3.556336 -0.000000 -0.000000\n-1.778168 3.079877 0.000000\n0.000000 -0.000000 16.037357\nCa Mg\n2 4\ndirect\n0.666668 0.333333 0.250000 Ca\n0.333333 0.666668 0.750000 Ca\n0.333333 0.666668 0.077028 Mg\n0.333333 0.666668 0.422972 Mg\n0.666668 0.333333 0.577028 Mg\n0.666668 0.333333 0.922972 Mg\n",
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{
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{
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"structure_string": "Rb2 B12 H12\n1.0\n6.577479 -0.000000 3.797509\n2.192493 6.201307 3.797509\n0.000000 0.000000 7.595018\nRb B H\n2 12 12\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.216717 0.783283 0.948196 B\n0.051804 0.783283 0.216717 B\n0.216716 0.948196 0.051804 B\n0.051804 0.216717 0.948196 B\n0.948196 0.051804 0.216717 B\n0.783283 0.216717 0.051804 B\n0.948196 0.783283 0.051804 B\n0.783282 0.948196 0.216717 B\n0.051803 0.948196 0.783283 B\n0.216717 0.051804 0.783283 B\n0.948196 0.216717 0.783283 B\n0.783283 0.051804 0.948196 B\n0.091270 0.629618 0.370383 H\n0.370382 0.908730 0.091271 H\n0.091270 0.370383 0.908730 H\n0.908730 0.091270 0.370383 H\n0.629617 0.370383 0.091271 H\n0.908729 0.629618 0.091271 H\n0.629617 0.908730 0.370383 H\n0.091270 0.908730 0.629618 H\n0.370383 0.091270 0.629617 H\n0.629617 0.091270 0.908730 H\n0.370382 0.629618 0.908730 H\n0.908730 0.370383 0.629618 H\n",
"nsites": 26,
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{
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"created_at": "2022-09-04T14:38:39.731648Z",
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"structure_string": "Rb1 Ca1 N1\n1.0\n3.994317 0.000000 0.000000\n0.000000 3.994317 -0.000000\n0.000000 -0.000000 8.664541\nRb Ca N\n1 1 1\ndirect\n0.000000 0.000000 0.063325 Rb\n0.000000 0.000000 0.527543 Ca\n0.000000 0.000000 0.768661 N\n",
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{
"id": "jvasp-112018",
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"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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{
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"created_at": "2022-09-04T14:37:46.929496Z",
"updated_at": "2022-09-04T14:37:46.929524Z",
"structure_string": "Li4 S4\n1.0\n4.501513 0.009090 -6.239048\n-0.462583 4.477692 -6.239048\n-0.008182 -0.009090 7.693457\nLi S\n4 4\ndirect\n0.722874 0.722874 -0.000001 Li\n0.277126 0.277126 -0.000000 Li\n0.000001 0.500000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.040125 0.717108 -0.000000 S\n0.717108 0.040124 -0.000001 S\n0.959876 0.959876 0.676984 S\n0.282891 0.282891 0.323015 S\n",
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{
"id": "jvasp-115201",
"created_at": "2022-09-04T14:38:44.427182Z",
"updated_at": "2022-09-04T14:38:44.427200Z",
"structure_string": "Li1 P1 S1\n1.0\n4.939004 0.985792 0.000000\n1.060697 4.565849 0.000000\n0.000000 0.000000 3.225369\nLi P S\n1 1 1\ndirect\n-0.104515 -0.078792 0.000000 Li\n0.373462 -0.018677 0.000000 P\n0.003080 0.369496 0.000000 S\n",
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{
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"structure_string": "H2 C2\n1.0\n-1.268240 -2.196656 0.000000\n-1.268240 2.196656 0.000000\n0.000000 -0.000000 -4.632471\nH C\n2 2\ndirect\n0.666667 0.333333 0.209896 H\n0.333334 0.666667 0.790104 H\n0.666667 0.333333 0.450315 C\n0.333334 0.666667 0.549685 C\n",
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{
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"created_at": "2022-09-04T14:37:52.360875Z",
"updated_at": "2022-09-04T14:37:52.360886Z",
"structure_string": "Na1 Mg7\n1.0\n6.506155 0.000000 -0.000000\n-3.253078 5.634495 0.000000\n0.000000 0.000000 5.223055\nNa Mg\n1 7\ndirect\n0.166667 0.333333 0.250000 Na\n0.168765 0.834382 0.250000 Mg\n0.665618 0.331235 0.250000 Mg\n0.665617 0.834382 0.250000 Mg\n0.335585 0.164415 0.750001 Mg\n0.335585 0.671171 0.750001 Mg\n0.828829 0.164415 0.750001 Mg\n0.833333 0.666666 0.750001 Mg\n",
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{
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"structure_string": "H14 C22 S4 N2\n1.0\n3.739031 0.238769 -0.272716\n-0.812145 10.488748 -4.022252\n0.131432 -0.245965 11.023791\nH C S N\n14 22 4 2\ndirect\n0.770858 0.841775 0.009194 H\n0.746777 0.611102 0.386789 H\n0.305205 0.786091 0.840721 H\n0.305204 0.786092 0.340721 H\n0.280065 0.552523 0.717677 H\n0.280064 0.552524 0.217677 H\n0.955476 0.003700 0.672914 H\n0.746777 0.611102 0.886788 H\n0.718504 0.415221 0.280777 H\n0.718503 0.415221 0.780777 H\n0.767644 0.171095 0.190302 H\n0.767644 0.171095 0.690302 H\n0.770857 0.841775 0.509194 H\n0.955477 0.003700 0.172915 H\n0.042251 0.830912 0.683513 C\n0.014890 0.561667 0.041504 C\n0.014890 0.561667 0.541504 C\n0.137378 0.054549 0.861370 C\n0.883712 0.778024 0.554876 C\n0.883713 0.778025 0.054877 C\n0.870343 0.647277 0.985996 C\n0.870343 0.647278 0.485996 C\n0.042251 0.830913 0.183513 C\n0.137379 0.054550 0.361370 C\n0.167827 0.615551 0.670751 C\n0.055028 0.185344 0.876237 C\n0.183854 0.747514 0.741582 C\n0.183854 0.747515 0.241582 C\n0.055029 0.185344 0.376237 C\n0.002604 0.424512 0.464111 C\n0.002604 0.424512 0.964111 C\n0.850651 0.364497 0.337073 C\n0.850650 0.364496 0.837073 C\n0.878597 0.230676 0.287876 C\n0.878597 0.230676 0.787876 C\n0.167827 0.615551 0.170751 C\n0.181413 0.311499 0.022019 S\n0.181413 0.311499 0.522019 S\n0.336417 0.022787 0.986228 S\n0.336417 0.022787 0.486228 S\n0.041890 0.965515 0.239977 N\n0.041890 0.965515 0.739977 N\n",
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{
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"structure_string": "Na1 Ca2 Be1\n1.0\n5.344994 0.000000 -0.000000\n0.000000 5.344994 0.000000\n-0.000000 0.000000 3.893020\nNa Ca Be\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Na\n0.500000 0.000000 0.000000 Ca\n0.000000 0.500000 0.000000 Ca\n0.000000 0.000000 0.500000 Be\n",
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{
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"structure_string": "Li2 N2\n1.0\n2.606012 0.000000 0.000000\n0.000000 2.606012 0.000000\n-0.000000 0.000000 6.117965\nLi N\n2 2\ndirect\n0.000000 0.000000 0.257750 Li\n0.499999 0.499999 0.742251 Li\n0.000000 0.000000 0.951641 N\n0.499999 0.499999 0.048360 N\n",
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]
}