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{
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{
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{
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"structure_string": "Ca40 H15 N20\n1.0\n7.181309 0.000000 0.000000\n-3.585366 6.224239 0.000000\n-0.021231 -4.131284 29.346225\nCa H N\n40 15 20\ndirect\n0.259133 0.577237 0.053116 Ca\n0.265084 0.308861 0.142458 Ca\n0.715602 0.582159 0.051974 Ca\n0.259421 0.129459 0.052767 Ca\n0.261574 0.981317 0.252325 Ca\n0.735353 0.270539 0.147249 Ca\n0.741049 0.091156 0.057553 Ca\n0.288195 0.822830 0.146896 Ca\n0.263716 0.708873 0.342464 Ca\n0.712319 0.978042 0.252763 Ca\n0.737347 0.817695 0.148036 Ca\n0.263641 0.529469 0.252763 Ca\n0.261601 0.381403 0.452326 Ca\n0.736264 0.670525 0.347256 Ca\n0.736309 0.491137 0.257550 Ca\n0.287685 0.221964 0.347258 Ca\n0.712304 0.378025 0.452749 Ca\n0.263724 0.108879 0.542458 Ca\n0.738385 0.218588 0.347683 Ca\n0.263721 0.929458 0.452753 Ca\n0.261615 0.781412 0.652317 Ca\n0.736279 0.070542 0.547247 Ca\n0.287696 0.621975 0.547251 Ca\n0.736276 0.891121 0.457542 Ca\n0.263691 0.508863 0.742450 Ca\n0.712315 0.778036 0.652742 Ca\n0.738399 0.618597 0.547674 Ca\n0.263736 0.329475 0.652744 Ca\n0.262653 0.182305 0.851964 Ca\n0.736359 0.470531 0.747237 Ca\n0.736284 0.291127 0.657536 Ca\n0.287681 0.021958 0.747237 Ca\n0.258951 0.908844 0.942447 Ca\n0.711805 0.177170 0.853104 Ca\n0.738426 0.018683 0.747675 Ca\n0.264647 0.729461 0.852751 Ca\n0.740579 0.870541 0.947233 Ca\n0.734916 0.691139 0.857542 Ca\n0.284398 0.417841 0.948026 Ca\n0.740867 0.422763 0.946884 Ca\n0.000000 0.000000 0.000000 H\n0.000000 0.500000 0.000000 H\n0.999915 0.900019 0.200000 H\n0.000009 0.300009 0.399996 H\n0.500002 0.400046 0.200001 H\n0.999155 0.700013 0.099994 H\n0.000017 0.100017 0.299991 H\n0.999991 0.699991 0.600004 H\n0.500001 0.800002 0.399996 H\n0.000845 0.299987 0.900006 H\n0.000085 0.099981 0.800000 H\n0.999983 0.899983 0.700009 H\n0.499999 0.199998 0.600004 H\n0.000000 0.500000 0.500000 H\n0.499998 0.599954 0.799999 H\n0.500000 0.500000 0.000000 N\n0.999726 0.199624 0.100143 N\n0.500399 0.200389 0.099842 N\n0.500019 0.100022 0.299988 N\n0.500158 0.900014 0.199993 N\n0.000028 0.600012 0.299990 N\n0.500008 0.600006 0.299991 N\n0.500325 0.700021 0.099990 N\n0.500000 0.500000 0.500000 N\n0.500013 0.300008 0.399993 N\n0.000000 0.000000 0.500000 N\n0.500000 0.000000 0.500000 N\n0.499981 0.899978 0.700012 N\n0.999972 0.399988 0.700010 N\n0.499987 0.699992 0.600007 N\n0.499992 0.399994 0.700009 N\n0.499842 0.099986 0.800007 N\n0.000274 0.800376 0.899857 N\n0.499601 0.799611 0.900158 N\n0.499675 0.299979 0.900010 N\n",
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