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{
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"structure_string": "Ca1 H8 C6 O4\n1.0\n3.703109 -0.078384 -0.290223\n-1.216310 4.492611 -0.099280\n0.086013 -0.046105 10.105497\nCa H C O\n1 8 6 4\ndirect\n0.011981 0.039604 0.213033 Ca\n0.266471 0.844103 0.852331 H\n0.728100 0.867630 0.906163 H\n0.168034 0.310476 0.761832 H\n0.638002 0.337670 0.814045 H\n0.757849 0.235222 0.573764 H\n0.296141 0.211542 0.519975 H\n0.386216 0.741592 0.612040 H\n0.856183 0.768790 0.664253 H\n0.449266 0.705683 0.886088 C\n0.450339 0.469512 0.778391 C\n0.573875 0.609755 0.647699 C\n0.712474 0.492523 0.408834 C\n0.311567 0.586672 0.017240 C\n0.574942 0.373555 0.540013 C\n0.399439 0.774650 0.119632 O\n0.912311 0.758444 0.403236 O\n0.111703 0.320746 0.022814 O\n0.624495 0.304516 0.306451 O\n",
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{
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"structure_string": "Ca1 H2 O2\n1.0\n1.794756 -3.108608 -0.000000\n1.794756 3.108608 0.000000\n0.000000 0.000000 4.825047\nCa H O\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.666668 0.333334 0.442508 H\n0.333334 0.666668 0.557493 H\n0.666668 0.333334 0.240153 O\n0.333334 0.666668 0.759848 O\n",
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{
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{
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{
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