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{
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{
"id": "mp-1202797",
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{
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"structure_string": "Ni4 H16 C8 S16 N8\n1.0\n13.116224 0.000000 0.000000\n0.000000 7.231777 0.000000\n0.000000 7.230124 8.506197\nNi H C S N\n4 16 8 16 8\ndirect\n0.128542 0.115102 0.023417 Ni\n0.628542 0.884898 0.476583 Ni\n0.871458 0.884898 0.976583 Ni\n0.371458 0.115102 0.523417 Ni\n0.233231 0.618125 0.022529 H\n0.733231 0.381875 0.477471 H\n0.495291 0.639063 0.032213 H\n0.916786 0.875856 0.435293 H\n0.004709 0.639063 0.532213 H\n0.853057 0.625192 0.878140 H\n0.646943 0.625192 0.378140 H\n0.416786 0.124144 0.064707 H\n0.995291 0.360937 0.467787 H\n0.766769 0.381875 0.977471 H\n0.266769 0.618125 0.522529 H\n0.504709 0.360937 0.967787 H\n0.583214 0.875856 0.935293 H\n0.353057 0.374808 0.621860 H\n0.083214 0.124144 0.564707 H\n0.146943 0.374808 0.121860 H\n0.473620 0.897106 0.794331 C\n0.761626 0.651888 0.243093 C\n0.526380 0.102894 0.205669 C\n0.238374 0.348112 0.756907 C\n0.261626 0.348112 0.256907 C\n0.026380 0.897106 0.294331 C\n0.973620 0.102894 0.705669 C\n0.738374 0.651888 0.743093 C\n0.130460 0.457862 0.778070 S\n0.869540 0.542138 0.221930 S\n0.630460 0.542138 0.721930 S\n0.730421 0.926032 0.064278 S\n0.992476 0.165275 0.115505 S\n0.507524 0.165275 0.615505 S\n0.369540 0.457862 0.278070 S\n0.630858 0.219802 0.227842 S\n0.269579 0.073968 0.935722 S\n0.130858 0.780198 0.272158 S\n0.230421 0.073968 0.435722 S\n0.369142 0.780198 0.772158 S\n0.869142 0.219802 0.727842 S\n0.769579 0.926032 0.564278 S\n0.492476 0.834725 0.384495 S\n0.007524 0.834725 0.884495 S\n0.021094 0.202982 0.571098 N\n0.710394 0.545503 0.375089 N\n0.289606 0.454497 0.624911 N\n0.521094 0.797018 0.928902 N\n0.210394 0.454497 0.124911 N\n0.478906 0.202982 0.071098 N\n0.789606 0.545503 0.875089 N\n0.978906 0.797018 0.428902 N\n",
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{
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"structure_string": "K3 Sc3 H12 C12 O30\n1.0\n4.481622 -7.762397 0.000000\n4.481622 7.762397 0.000000\n0.000000 0.000000 11.597190\nK Sc H C O\n3 3 12 12 30\ndirect\n0.000000 0.000000 0.666667 K\n0.000000 0.000000 0.333333 K\n0.000000 0.000000 0.000000 K\n0.000000 0.500000 0.666667 Sc\n0.500000 0.500000 0.333333 Sc\n0.500000 0.000000 0.000000 Sc\n0.346798 0.098629 0.484142 H\n0.751832 0.098629 0.515858 H\n0.653202 0.751832 0.849191 H\n0.901371 0.248168 0.150809 H\n0.901371 0.653202 0.182524 H\n0.098629 0.346798 0.182524 H\n0.098629 0.751832 0.150809 H\n0.751832 0.653202 0.817476 H\n0.248168 0.901371 0.515858 H\n0.248168 0.346798 0.817476 H\n0.346798 0.248168 0.849191 H\n0.653202 0.901371 0.484142 H\n0.210540 0.421080 0.500000 C\n0.618488 0.309244 0.166667 C\n0.309244 0.690756 0.833333 C\n0.690756 0.381512 0.500000 C\n0.690756 0.309244 0.833333 C\n0.789460 0.210540 0.833333 C\n0.789460 0.578920 0.500000 C\n0.381512 0.690756 0.166667 C\n0.578920 0.789460 0.166667 C\n0.210540 0.789460 0.833333 C\n0.421080 0.210540 0.166667 C\n0.309244 0.618488 0.500000 C\n0.310624 0.759416 0.109960 O\n0.000000 0.768119 0.166667 O\n0.689376 0.448791 0.223373 O\n0.240584 0.689376 0.556706 O\n0.000000 0.231881 0.166667 O\n0.733424 0.653079 0.434920 O\n0.231881 0.231881 0.833333 O\n0.551209 0.240584 0.890040 O\n0.653079 0.919656 0.101587 O\n0.768119 0.000000 0.500000 O\n0.653079 0.733424 0.231746 O\n0.448791 0.689376 0.443294 O\n0.080344 0.346921 0.565080 O\n0.346921 0.080344 0.101587 O\n0.733424 0.080344 0.898413 O\n0.080344 0.733424 0.768254 O\n0.919656 0.266576 0.768254 O\n0.266576 0.346921 0.434920 O\n0.919656 0.653079 0.565080 O\n0.231881 0.000000 0.500000 O\n0.240584 0.551209 0.776627 O\n0.551209 0.310624 0.443294 O\n0.310624 0.551209 0.223373 O\n0.266576 0.919656 0.898413 O\n0.448791 0.759416 0.890040 O\n0.768119 0.768119 0.833333 O\n0.759416 0.310624 0.556706 O\n0.689376 0.240584 0.109960 O\n0.346921 0.266576 0.231746 O\n0.759416 0.448791 0.776627 O\n",
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{
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{
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