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{
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{
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"structure_string": "Ni2 H40 C16 N20\n1.0\n9.135089 0.000000 0.000000\n0.000000 6.581653 0.000000\n0.000000 1.662321 11.321392\nNi H C N\n2 40 16 20\ndirect\n0.500000 0.500000 0.500000 Ni\n0.000000 0.500000 0.000000 Ni\n0.536504 0.635024 0.863845 H\n0.963496 0.635024 0.363845 H\n0.575607 0.390139 0.307547 H\n0.390795 0.926639 0.697907 H\n0.844258 0.204869 0.964481 H\n0.816353 0.475716 0.405944 H\n0.463496 0.364976 0.136155 H\n0.794658 0.848247 0.776473 H\n0.596538 0.836335 0.046723 H\n0.523034 0.892004 0.223948 H\n0.655742 0.204869 0.464481 H\n0.036504 0.364976 0.636155 H\n0.164895 0.956623 0.555512 H\n0.788795 0.868641 0.029933 H\n0.023034 0.107996 0.276052 H\n0.075607 0.609861 0.192453 H\n0.316353 0.524284 0.094056 H\n0.424393 0.609861 0.692453 H\n0.476966 0.107996 0.776052 H\n0.288795 0.131359 0.470067 H\n0.205342 0.151753 0.223527 H\n0.155742 0.795131 0.035519 H\n0.096538 0.163665 0.453277 H\n0.294658 0.151753 0.723527 H\n0.609205 0.073361 0.302093 H\n0.344258 0.795131 0.535519 H\n0.976966 0.892004 0.723948 H\n0.109205 0.926639 0.197907 H\n0.705342 0.848247 0.276473 H\n0.211205 0.131359 0.970067 H\n0.711205 0.868641 0.529933 H\n0.835105 0.043377 0.444488 H\n0.335105 0.956623 0.055512 H\n0.664895 0.043377 0.944488 H\n0.903462 0.836335 0.546723 H\n0.403462 0.163665 0.953277 H\n0.683647 0.475716 0.905944 H\n0.890795 0.073361 0.802093 H\n0.183647 0.524284 0.594056 H\n0.924393 0.390139 0.807547 H\n0.816343 0.951804 0.531466 C\n0.107194 0.539921 0.761415 C\n0.373017 0.032542 0.761524 C\n0.873017 0.967458 0.738476 C\n0.607194 0.460079 0.738585 C\n0.392806 0.539921 0.261415 C\n0.778037 0.238242 0.125137 C\n0.126983 0.032542 0.261524 C\n0.183657 0.048196 0.468534 C\n0.721963 0.238242 0.625137 C\n0.683657 0.951804 0.031466 C\n0.892806 0.460079 0.238585 C\n0.278037 0.761758 0.374863 C\n0.221963 0.761758 0.874863 C\n0.316343 0.048196 0.968534 C\n0.626983 0.967458 0.238476 C\n0.489843 0.463422 0.342262 N\n0.715699 0.325401 0.724787 N\n0.596024 0.509657 0.851511 N\n0.010157 0.463422 0.842262 N\n0.143291 0.702566 0.972239 N\n0.356709 0.702566 0.472239 N\n0.403976 0.490343 0.148489 N\n0.322270 0.921383 0.874037 N\n0.903976 0.509657 0.351511 N\n0.989843 0.536578 0.157738 N\n0.856709 0.297434 0.027761 N\n0.643291 0.297434 0.527761 N\n0.284301 0.674599 0.275213 N\n0.784301 0.325401 0.224787 N\n0.177730 0.921383 0.374037 N\n0.510157 0.536578 0.657738 N\n0.215699 0.674599 0.775213 N\n0.822270 0.078617 0.625963 N\n0.096024 0.490343 0.648489 N\n0.677730 0.078617 0.125963 N\n",
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{
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{
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{
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