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H\n0.606547 0.951038 0.944463 H\n0.106547 0.548962 0.055537 H\n0.393453 0.048962 0.055537 H\n0.893453 0.451038 0.944463 H\n0.644981 0.100903 0.977473 H\n0.144981 0.399097 0.022527 H\n0.355019 0.899097 0.022527 H\n0.855019 0.600903 0.977473 H\n0.340213 0.111836 0.253273 S\n0.840213 0.388164 0.746727 S\n0.659787 0.888164 0.746727 S\n0.159787 0.611836 0.253273 S\n0.855435 0.931884 0.232156 S\n0.355435 0.568116 0.767844 S\n0.144565 0.068116 0.767844 S\n0.644565 0.431884 0.232156 S\n0.587560 0.688861 0.438572 S\n0.087560 0.811139 0.561428 S\n0.412440 0.311139 0.561428 S\n0.912440 0.188861 0.438572 S\n0.525556 0.720839 0.059835 S\n0.025556 0.779161 0.940165 S\n0.474444 0.279161 0.940165 S\n0.974444 0.220839 0.059835 S\n0.491478 0.776011 0.252115 N\n0.991478 0.723989 0.747885 N\n0.508522 0.223989 0.747885 N\n0.008522 0.276011 0.252115 N\n0.339342 0.347889 0.126606 N\n0.839341 0.152111 0.873394 N\n0.660659 0.652111 0.873394 N\n0.160659 0.847889 0.126606 N\n0.486059 0.111230 0.244689 O\n0.986059 0.388770 0.755311 O\n0.513941 0.888770 0.755311 O\n0.013941 0.611230 0.244689 O\n0.298414 0.226524 0.310899 O\n0.798414 0.273476 0.689101 O\n0.701586 0.773476 0.689101 O\n0.201586 0.726524 0.310899 O\n0.277110 0.122063 0.187518 O\n0.777110 0.377937 0.812482 O\n0.722890 0.877937 0.812482 O\n0.222890 0.622063 0.187518 O\n0.300017 0.982872 0.271578 O\n0.800017 0.517128 0.728422 O\n0.699983 0.017128 0.728422 O\n0.199984 0.482872 0.271578 O\n0.998031 0.944299 0.247919 O\n0.498031 0.555701 0.752081 O\n0.001969 0.055701 0.752081 O\n0.501969 0.444299 0.247919 O\n0.797485 0.070303 0.241936 O\n0.297485 0.429697 0.758064 O\n0.202515 0.929697 0.758064 O\n0.702515 0.570303 0.241936 O\n0.841220 0.859906 0.157481 O\n0.341220 0.640094 0.842519 O\n0.158780 0.140094 0.842519 O\n0.658780 0.359906 0.157481 O\n0.786563 0.857020 0.277340 O\n0.286563 0.642980 0.722660 O\n0.213437 0.142980 0.722660 O\n0.713437 0.357020 0.277340 O\n0.670964 0.761435 0.396666 O\n0.170964 0.738565 0.603334 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0.392587 0.241178 Bi\n0.214943 0.107413 0.258822 Bi\n0.285057 0.607413 0.758822 Bi\n0.785057 0.892587 0.741178 Bi\n0.285057 0.107413 0.741178 Bi\n0.714943 0.892587 0.258822 Bi\n0.125035 0.944192 0.621812 O\n0.965000 0.249629 0.578486 O\n0.013462 0.470357 0.353402 O\n0.035000 0.750371 0.421514 O\n0.625035 0.055808 0.621812 O\n0.986538 0.029643 0.853402 O\n0.513462 0.029643 0.146598 O\n0.486538 0.970357 0.853402 O\n0.874965 0.555808 0.121812 O\n0.374965 0.944192 0.378188 O\n0.535000 0.249629 0.421514 O\n0.986538 0.529643 0.646598 O\n0.465000 0.750371 0.578486 O\n0.486538 0.470357 0.646598 O\n0.874965 0.055808 0.378188 O\n0.465000 0.250371 0.921514 O\n0.035000 0.250371 0.078486 O\n0.013462 0.970357 0.146598 O\n0.513462 0.529643 0.353402 O\n0.374965 0.444192 0.121812 O\n0.125035 0.444192 0.878188 O\n0.965000 0.749629 0.921514 O\n0.625035 0.555808 0.878188 O\n0.535000 0.749629 0.078486 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Mg\n0.758089 0.279090 0.834867 Mg\n0.258089 0.220910 0.165133 Mg\n0.528790 0.066728 0.692920 H\n0.028790 0.433272 0.307080 H\n0.471210 0.566728 0.807080 H\n0.971210 0.933272 0.192920 H\n0.009096 0.488001 0.716331 H\n0.509096 0.011999 0.283669 H\n0.990904 0.988001 0.783669 H\n0.490904 0.511999 0.216331 H\n0.517927 0.673865 0.517324 H\n0.017927 0.826135 0.482676 H\n0.482073 0.173865 0.982676 H\n0.982073 0.326135 0.017324 H\n0.218068 0.940306 0.979076 H\n0.718068 0.559694 0.020924 H\n0.781932 0.440306 0.520924 H\n0.281932 0.059694 0.479076 H\n0.210799 0.781823 0.896857 H\n0.710799 0.718177 0.103143 H\n0.789201 0.281823 0.603143 H\n0.289201 0.218177 0.396857 H\n0.400080 0.810595 0.964780 H\n0.900080 0.689405 0.035220 H\n0.599920 0.310595 0.535220 H\n0.099920 0.189405 0.464780 H\n0.225283 0.597995 0.030429 H\n0.725283 0.902005 0.969571 H\n0.774717 0.097995 0.469571 H\n0.274717 0.402005 0.530429 H\n0.221188 0.762034 0.099576 H\n0.721188 0.737966 0.900424 H\n0.778812 0.262034 0.400424 H\n0.278812 0.237966 0.599576 H\n0.504015 0.013009 0.764596 C\n0.004015 0.486991 0.235404 C\n0.495985 0.513009 0.735404 C\n0.995985 0.986991 0.264596 C\n0.008232 0.556110 0.784803 C\n0.508232 0.943890 0.215197 C\n0.991768 0.056110 0.715197 C\n0.491768 0.443890 0.284803 C\n0.493224 0.804361 0.496234 C\n0.993224 0.695639 0.503766 C\n0.506776 0.304361 0.003766 C\n0.006776 0.195639 0.996234 C\n0.259200 0.818001 0.963822 N\n0.759200 0.681999 0.036178 N\n0.740800 0.318001 0.536178 N\n0.240800 0.181999 0.463822 N\n0.174191 0.716142 0.036111 N\n0.674191 0.783858 0.963889 N\n0.825809 0.216142 0.463889 N\n0.325809 0.283858 0.536111 N\n0.391882 0.894836 0.770192 O\n0.891882 0.605164 0.229808 O\n0.608118 0.394836 0.729808 O\n0.108118 0.105164 0.270192 O\n0.589480 0.073582 0.834214 O\n0.089480 0.426418 0.165786 O\n0.410520 0.573582 0.665786 O\n0.910520 0.926418 0.334214 O\n0.100454 0.689643 0.788289 O\n0.600454 0.810357 0.211711 O\n0.899546 0.189643 0.711711 O\n0.399546 0.310357 0.288289 O\n0.916475 0.496547 0.852487 O\n0.416475 0.003453 0.147513 O\n0.083525 0.996547 0.647513 O\n0.583525 0.503453 0.352487 O\n0.377888 0.884729 0.545146 O\n0.877888 0.615271 0.454854 O\n0.622112 0.384729 0.954854 O\n0.122112 0.115271 0.045146 O\n0.579621 0.863424 0.426467 O\n0.079621 0.636576 0.573533 O\n0.420379 0.363424 0.073533 O\n0.920379 0.136576 0.926467 O\n","nsites":80,"nelements":5,"elements":["Mg","H","C","N","O"],"chemical_system":"C-H-Mg-N-O","density":1.52019753206914,"density_atomic":0.09515953994891437,"volume":840.6934296124946,"volume_molar":6.328467711416993,"formula_full":"Mg4 H32 C12 N8 O24","formula_reduced":"MgH8C3(NO3)2","formula_anonymous":"AB2C3D6E8","energy":-502.1688832299999,"energy_per_atom":-6.277111040374999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-482.79288323,"band_gap":4.9305,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0368432,"is_theoretical":false,"updated_at":"2021-11-28T01:38:54.475000Z","spacegroup":19}]}