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{
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{
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{
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"structure_string": "B4 H20 C4 N8\n1.0\n7.722402 0.000000 0.000000\n0.000000 6.382985 0.000000\n0.000000 0.000000 6.701021\nB H C N\n4 20 4 8\ndirect\n0.727833 0.127310 0.652195 B\n0.272166 0.872691 0.152195 B\n0.772166 0.627310 0.152195 B\n0.227833 0.372691 0.652195 B\n0.308914 0.369050 0.496605 H\n0.691085 0.630951 -0.003394 H\n0.191085 0.869050 -0.003394 H\n0.808914 0.130950 0.496605 H\n0.175445 0.198819 0.695809 H\n0.824554 0.801182 0.195809 H\n0.675445 0.301182 0.695809 H\n0.280733 0.461296 0.961036 H\n0.719267 0.538704 0.461037 H\n0.324554 0.698819 0.195809 H\n0.780733 0.038704 0.961036 H\n0.453943 0.361071 0.849629 H\n0.546057 0.638930 0.349629 H\n0.046057 0.861071 0.349629 H\n0.953943 0.138929 0.849629 H\n0.392235 0.605619 0.794360 H\n0.607765 0.394382 0.294360 H\n0.107765 0.105618 0.294360 H\n0.892234 0.894383 0.794360 H\n0.219267 0.961297 0.461037 H\n0.069982 0.527907 0.632102 C\n0.930018 0.472093 0.132102 C\n0.569981 0.972094 0.632102 C\n0.430018 0.027907 0.132102 C\n0.046796 0.356898 0.118593 N\n0.847831 0.043633 0.827669 N\n0.152169 0.956368 0.327669 N\n0.652169 0.543633 0.327669 N\n0.347831 0.456368 0.827669 N\n0.453204 0.856898 0.618593 N\n0.546796 0.143102 0.118593 N\n0.953204 0.643103 0.618593 N\n",
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{
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"structure_string": "Na8 Si8 S20\n1.0\n8.960593 0.051019 -0.000000\n0.023503 8.960708 -0.000000\n0.000000 -0.000000 10.374666\nNa Si S\n8 8 20\ndirect\n0.914261 0.416470 0.750000 Na\n0.849314 0.849315 0.500000 Na\n0.849314 0.849315 0.000000 Na\n0.150685 0.150685 0.500000 Na\n0.583530 0.085739 0.750000 Na\n0.416469 0.914262 0.250000 Na\n0.085738 0.583531 0.250000 Na\n0.150685 0.150685 0.000000 Na\n0.254212 0.745788 0.917957 Si\n0.315508 0.412275 0.750000 Si\n0.745787 0.254212 0.417957 Si\n0.745787 0.254212 0.082044 Si\n0.587725 0.684492 0.750000 Si\n0.412275 0.315509 0.250000 Si\n0.684491 0.587725 0.250000 Si\n0.254212 0.745788 0.582044 Si\n0.725157 0.813663 0.250000 S\n0.447558 0.552442 0.250000 S\n0.492576 0.789636 0.920455 S\n0.507423 0.210365 0.420455 S\n0.789635 0.492577 0.079545 S\n0.210364 0.507424 0.579546 S\n0.507423 0.210365 0.079545 S\n0.274843 0.186337 0.750000 S\n0.186337 0.274843 0.250000 S\n0.789635 0.492577 0.420455 S\n0.158138 0.841862 0.419914 S\n0.841862 0.158138 0.919914 S\n0.841862 0.158138 0.580087 S\n0.158138 0.841862 0.080087 S\n0.845451 0.154549 0.250000 S\n0.210364 0.507424 0.920455 S\n0.552441 0.447559 0.750000 S\n0.492576 0.789636 0.579546 S\n0.813663 0.725158 0.750000 S\n0.154549 0.845451 0.750000 S\n",
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{
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"created_at": "2022-09-04T14:38:19.435519Z",
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"structure_string": "Er8 Ti12 Si16\n1.0\n7.039058 0.000000 0.000000\n0.000000 7.039058 -0.000000\n0.000000 -0.000000 12.913882\nEr Ti Si\n8 12 16\ndirect\n0.340589 0.001415 0.466959 Er\n0.498586 0.840589 0.716959 Er\n0.501415 0.159411 0.216959 Er\n0.840589 0.498586 0.283041 Er\n0.159411 0.501415 0.783040 Er\n0.659412 0.998586 0.966959 Er\n0.001415 0.340589 0.533041 Er\n0.998586 0.659412 0.033041 Er\n0.992893 0.847428 0.624311 Ti\n0.007107 0.152573 0.124311 Ti\n0.347428 0.507107 0.374311 Ti\n0.652573 0.492893 0.874311 Ti\n0.507107 0.347428 0.625689 Ti\n0.847428 0.992893 0.375689 Ti\n0.152573 0.007107 0.875689 Ti\n0.672194 0.672194 0.500000 Ti\n0.827806 0.172194 0.750000 Ti\n0.172194 0.827806 0.250000 Ti\n0.327806 0.327806 0.000000 Ti\n0.492893 0.652573 0.125689 Ti\n0.708479 0.045131 0.564847 Si\n0.208478 0.454869 0.185153 Si\n0.791522 0.545131 0.685152 Si\n0.454869 0.208478 0.814847 Si\n0.545131 0.791522 0.314847 Si\n0.291522 0.954869 0.064847 Si\n0.869024 0.797200 0.817429 Si\n0.297200 0.630977 0.567429 Si\n0.797200 0.869024 0.182571 Si\n0.702800 0.369024 0.067429 Si\n0.630977 0.297200 0.432570 Si\n0.369024 0.702800 0.932570 Si\n0.202800 0.130976 0.682570 Si\n0.954869 0.291522 0.935152 Si\n0.130976 0.202800 0.317429 Si\n0.045131 0.708479 0.435153 Si\n",
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"structure_string": "Sr8 Ge8 Se20\n1.0\n0.000000 8.515168 0.008968\n12.382041 0.000000 0.000000\n0.000000 -7.891758 -9.218759\nSr Ge Se\n8 8 20\ndirect\n0.538458 0.196664 0.479445 Sr\n0.461542 0.696664 0.020555 Sr\n0.461542 0.803336 0.520555 Sr\n0.538458 0.303336 0.979445 Sr\n0.012918 0.336613 0.469363 Sr\n0.987082 0.836613 0.030637 Sr\n0.987082 0.663387 0.530637 Sr\n0.012918 0.163387 0.969363 Sr\n0.157358 0.049666 0.667208 Ge\n0.842642 0.549666 0.832792 Ge\n0.842642 0.950334 0.332792 Ge\n0.157358 0.450334 0.167208 Ge\n0.515021 0.520368 0.313451 Ge\n0.484979 0.020368 0.186549 Ge\n0.515021 0.979632 0.813451 Ge\n0.484979 0.479632 0.686549 Ge\n0.250318 0.558162 0.454206 Se\n0.478398 0.714788 0.291482 Se\n0.521602 0.214788 0.208518 Se\n0.318380 0.992764 0.284549 Se\n0.681620 0.492764 0.215451 Se\n0.681620 0.007236 0.715451 Se\n0.318380 0.507236 0.784549 Se\n0.749682 0.058162 0.045794 Se\n0.250318 0.941837 0.954206 Se\n0.896208 0.909386 0.557014 Se\n0.937647 0.792668 0.277269 Se\n0.937646 0.707332 0.777269 Se\n0.062353 0.292668 0.222731 Se\n0.062353 0.207332 0.722731 Se\n0.103792 0.090614 0.442986 Se\n0.896208 0.590614 0.057014 Se\n0.478397 0.785212 0.791482 Se\n0.103792 0.409386 0.942986 Se\n0.749682 0.441838 0.545794 Se\n0.521602 0.285212 0.708518 Se\n",
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"structure_string": "Sr12 Ga8 N16\n1.0\n5.977340 -0.000000 0.000000\n0.000000 9.528925 0.000000\n0.000000 0.000000 10.318592\nSr Ga N\n12 8 16\ndirect\n0.890417 0.087153 0.654749 Sr\n0.250000 0.596635 0.500000 Sr\n0.250000 0.903364 0.000000 Sr\n0.750000 0.096635 0.000000 Sr\n0.390417 0.587153 0.845251 Sr\n0.750000 0.403365 0.500000 Sr\n0.109583 0.587153 0.154749 Sr\n0.109583 0.912846 0.345251 Sr\n0.609583 0.412847 0.154749 Sr\n0.609583 0.087153 0.345251 Sr\n0.390417 0.912846 0.654749 Sr\n0.890417 0.412847 0.845251 Sr\n0.158575 0.250000 0.250000 Ga\n0.250000 0.270615 0.500000 Ga\n0.750000 0.770615 0.000000 Ga\n0.750000 0.729384 0.500000 Ga\n0.250000 0.229384 0.000000 Ga\n0.341425 0.250000 0.750000 Ga\n0.658575 0.750000 0.250000 Ga\n0.841425 0.750000 0.750000 Ga\n0.875001 0.622639 0.352639 N\n0.495121 0.331948 0.905481 N\n0.004879 0.168052 0.405482 N\n0.004879 0.331948 0.094518 N\n0.504879 0.831948 0.405482 N\n0.504879 0.668051 0.094518 N\n0.995121 0.831948 0.594518 N\n0.995121 0.668051 0.905481 N\n0.124999 0.122639 0.852639 N\n0.375001 0.377361 0.352639 N\n0.375001 0.122639 0.147361 N\n0.875001 0.877360 0.147361 N\n0.624999 0.622639 0.647361 N\n0.624999 0.877360 0.852639 N\n0.124999 0.377361 0.647361 N\n0.495121 0.168052 0.594518 N\n",
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{
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{
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