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{
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{
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"structure_string": "Mo6 H24 C6 N12 O24\n1.0\n0.000000 -7.543334 0.000000\n-7.814664 0.000000 0.227273\n0.020740 0.000000 -13.169564\nMo H C N O\n6 24 6 12 24\ndirect\n0.513501 0.500000 0.250000 Mo\n0.486499 0.500000 0.750000 Mo\n0.250912 0.168563 0.339191 Mo\n0.250912 0.831437 0.160809 Mo\n0.749088 0.831437 0.660809 Mo\n0.749088 0.168563 0.839191 Mo\n0.940216 0.698402 0.339058 H\n0.940216 0.301598 0.160942 H\n0.059784 0.301598 0.660942 H\n0.059784 0.698402 0.839058 H\n0.952760 0.714111 0.470719 H\n0.952760 0.285889 0.029281 H\n0.047240 0.285889 0.529281 H\n0.047240 0.714111 0.970719 H\n0.410087 0.638967 0.483854 H\n0.410087 0.361033 0.016146 H\n0.589913 0.361033 0.516146 H\n0.589913 0.638967 0.983854 H\n0.212014 0.643655 0.551611 H\n0.212014 0.356345 0.948389 H\n0.787986 0.356345 0.448389 H\n0.787986 0.643655 0.051611 H\n0.660876 0.024052 0.404507 H\n0.660876 0.975948 0.095493 H\n0.339124 0.975948 0.595493 H\n0.339124 0.024052 0.904507 H\n0.856909 0.037834 0.335628 H\n0.856909 0.962166 0.164372 H\n0.143091 0.962166 0.664372 H\n0.143091 0.037834 0.835628 H\n0.188343 0.675687 0.398215 C\n0.188343 0.324313 0.101785 C\n0.811657 0.324313 0.601785 C\n0.811657 0.675687 0.898215 C\n0.634287 0.000000 0.250000 C\n0.365713 0.000000 0.750000 C\n0.015818 0.716959 0.402277 N\n0.015818 0.283041 0.097723 N\n0.984182 0.283041 0.597723 N\n0.984182 0.716959 0.902277 N\n0.275526 0.640586 0.483617 N\n0.275526 0.359414 0.016383 N\n0.724474 0.359414 0.516382 N\n0.724474 0.640586 0.983618 N\n0.722384 0.036974 0.336125 N\n0.722384 0.963026 0.163875 N\n0.277616 0.963026 0.663875 N\n0.277616 0.036974 0.836125 N\n0.270652 0.670139 0.311861 O\n0.270652 0.329861 0.188139 O\n0.729348 0.329861 0.688139 O\n0.729348 0.670139 0.811861 O\n0.462201 0.000000 0.250000 O\n0.537799 0.000000 0.750000 O\n0.437269 0.338431 0.351233 O\n0.437269 0.661569 0.148767 O\n0.562731 0.661569 0.648767 O\n0.562731 0.338431 0.851233 O\n0.131343 0.000000 0.250000 O\n0.868657 0.000000 0.750000 O\n0.303427 0.054597 0.446005 O\n0.303427 0.945403 0.053995 O\n0.696573 0.945403 0.553995 O\n0.696573 0.054597 0.946005 O\n0.060396 0.282389 0.376817 O\n0.060396 0.717611 0.123183 O\n0.939604 0.717611 0.623183 O\n0.939604 0.282389 0.876817 O\n0.655683 0.619151 0.328421 O\n0.655683 0.380849 0.171579 O\n0.344317 0.380849 0.671579 O\n0.344317 0.619151 0.828421 O\n",
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"formula_full": "Mo6 H24 C6 N12 O24",
"formula_reduced": "MoH4C(NO2)2",
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"energy": -501.25134993,
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},
{
"id": "mp-1103380",
"created_at": "2022-09-04T14:46:37.205038Z",
"structure_string": "Sr1 Tb2 Sc2 O7\n1.0\n2.860698 2.861304 0.000000\n-2.860698 2.861304 0.000000\n0.000000 -2.861304 10.120614\nSr Tb Sc O\n1 2 2 7\ndirect\n0.500000 0.500000 0.000000 Sr\n0.683030 0.683030 0.366059 Tb\n0.316970 0.316970 0.633941 Tb\n0.897269 0.897269 0.794539 Sc\n0.102731 0.102731 0.205461 Sc\n0.000000 0.000000 0.000000 O\n0.788306 0.788306 0.576612 O\n0.211694 0.211694 0.423388 O\n0.386130 0.886130 0.772260 O\n0.113870 0.613870 0.227740 O\n0.613870 0.113870 0.227740 O\n0.886130 0.386130 0.772260 O\n",
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},
{
"id": "mp-570554",
"created_at": "2022-09-04T14:46:30.371113Z",
"structure_string": "Tb1 P2 Ru2\n1.0\n-2.030448 2.030448 4.807363\n2.030448 -2.030448 4.807363\n2.030448 2.030448 -4.807363\nTb P Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.374698 0.374698 0.000000 P\n0.625302 0.625302 0.000000 P\n0.250000 0.750000 0.500000 Ru\n0.750000 0.250000 0.500000 Ru\n",
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{
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"created_at": "2022-09-04T14:46:52.274787Z",
"structure_string": "Na8 B48 N8 O80\n1.0\n12.466926 0.000000 0.000000\n0.000000 12.466926 0.000000\n0.000000 0.000000 12.466926\nNa B N O\n8 48 8 80\ndirect\n0.355508 0.644492 0.144492 Na\n0.644492 0.144492 0.355508 Na\n0.144492 0.355508 0.644492 Na\n0.855508 0.855508 0.855508 Na\n0.644492 0.355508 0.855508 Na\n0.355508 0.855508 0.644492 Na\n0.855508 0.644492 0.355508 Na\n0.144492 0.144492 0.144492 Na\n0.303511 0.670918 0.858934 B\n0.696489 0.170918 0.641066 B\n0.196489 0.329082 0.358934 B\n0.803511 0.829082 0.141066 B\n0.858934 0.303511 0.670918 B\n0.641066 0.696489 0.170918 B\n0.358934 0.196489 0.329082 B\n0.141066 0.803511 0.829082 B\n0.670918 0.858934 0.303511 B\n0.170918 0.641066 0.696489 B\n0.329082 0.358934 0.196489 B\n0.829082 0.141066 0.803511 B\n0.696489 0.329082 0.141066 B\n0.303511 0.829082 0.358934 B\n0.803511 0.670918 0.641066 B\n0.196489 0.170918 0.858934 B\n0.141066 0.696489 0.329082 B\n0.358934 0.303511 0.829082 B\n0.641066 0.803511 0.670918 B\n0.858934 0.196489 0.170918 B\n0.329082 0.141066 0.696489 B\n0.829082 0.358934 0.303511 B\n0.670918 0.641066 0.803511 B\n0.170918 0.858934 0.196489 B\n0.222501 0.780028 0.008223 B\n0.777499 0.280028 0.491777 B\n0.277499 0.219972 0.508223 B\n0.722501 0.719972 0.991777 B\n0.008223 0.222501 0.780028 B\n0.491777 0.777499 0.280028 B\n0.508223 0.277499 0.219972 B\n0.991777 0.722501 0.719972 B\n0.780028 0.008223 0.222501 B\n0.280028 0.491777 0.777499 B\n0.219972 0.508223 0.277499 B\n0.719972 0.991777 0.722501 B\n0.777499 0.219972 0.991777 B\n0.222501 0.719972 0.508223 B\n0.722501 0.780028 0.491777 B\n0.277499 0.280028 0.008223 B\n0.991777 0.777499 0.219972 B\n0.508223 0.222501 0.719972 B\n0.491777 0.722501 0.780028 B\n0.008223 0.277499 0.280028 B\n0.219972 0.991777 0.777499 B\n0.719972 0.508223 0.222501 B\n0.780028 0.491777 0.722501 B\n0.280028 0.008223 0.277499 B\n0.000000 0.500000 0.000000 N\n0.000000 0.000000 0.500000 N\n0.500000 0.500000 0.500000 N\n0.500000 0.000000 0.000000 N\n0.500000 0.500000 0.000000 N\n0.500000 0.000000 0.500000 N\n0.000000 0.500000 0.500000 N\n0.000000 0.000000 0.000000 N\n0.195853 0.695853 0.804147 O\n0.804147 0.195853 0.695853 O\n0.304147 0.304147 0.304147 O\n0.695853 0.804147 0.195853 O\n0.804147 0.304147 0.195853 O\n0.195853 0.804147 0.304147 O\n0.695853 0.695853 0.695853 O\n0.304147 0.195853 0.804147 O\n0.324990 0.557134 0.852554 O\n0.675010 0.057134 0.647446 O\n0.175010 0.442866 0.352554 O\n0.824990 0.942866 0.147446 O\n0.852554 0.324990 0.557134 O\n0.647446 0.675010 0.057134 O\n0.352554 0.175010 0.442866 O\n0.147446 0.824990 0.942866 O\n0.557134 0.852554 0.324990 O\n0.057134 0.647446 0.675010 O\n0.442866 0.352554 0.175010 O\n0.942866 0.147446 0.824990 O\n0.675010 0.442866 0.147446 O\n0.324990 0.942866 0.352554 O\n0.824990 0.557134 0.647446 O\n0.175010 0.057134 0.852554 O\n0.147446 0.675010 0.442866 O\n0.352554 0.324990 0.942866 O\n0.647446 0.824990 0.557134 O\n0.852554 0.175010 0.057134 O\n0.442866 0.147446 0.675010 O\n0.942866 0.352554 0.324990 O\n0.557134 0.647446 0.824990 O\n0.057134 0.852554 0.175010 O\n0.295969 0.704829 0.970717 O\n0.704031 0.204829 0.529283 O\n0.204031 0.295171 0.470717 O\n0.795969 0.795171 0.029283 O\n0.970717 0.295969 0.704829 O\n0.529283 0.704031 0.204829 O\n0.470717 0.204031 0.295171 O\n0.029283 0.795969 0.795171 O\n0.704829 0.970717 0.295969 O\n0.204829 0.529283 0.704031 O\n0.295171 0.470717 0.204031 O\n0.795171 0.029283 0.795969 O\n0.704031 0.295171 0.029283 O\n0.295969 0.795171 0.470717 O\n0.795969 0.704829 0.529283 O\n0.204031 0.204829 0.970717 O\n0.029283 0.704031 0.295171 O\n0.470717 0.295969 0.795171 O\n0.529283 0.795969 0.704829 O\n0.970717 0.204031 0.204829 O\n0.295171 0.029283 0.704031 O\n0.795171 0.470717 0.295969 O\n0.704829 0.529283 0.795969 O\n0.204829 0.970717 0.204031 O\n0.234276 0.802726 0.115304 O\n0.765724 0.302726 0.384696 O\n0.265724 0.197274 0.615304 O\n0.734276 0.697274 0.884696 O\n0.115304 0.234276 0.802726 O\n0.384696 0.765724 0.302726 O\n0.615304 0.265724 0.197274 O\n0.884696 0.734276 0.697274 O\n0.802726 0.115304 0.234276 O\n0.302726 0.384696 0.765724 O\n0.197274 0.615304 0.265724 O\n0.697274 0.884696 0.734276 O\n0.765724 0.197274 0.884696 O\n0.234276 0.697274 0.615304 O\n0.734276 0.802726 0.384696 O\n0.265724 0.302726 0.115304 O\n0.884696 0.765724 0.197274 O\n0.615304 0.234276 0.697274 O\n0.384696 0.734276 0.802726 O\n0.115304 0.265724 0.302726 O\n0.197274 0.884696 0.765724 O\n0.697274 0.615304 0.234276 O\n0.802726 0.384696 0.734276 O\n0.302726 0.115304 0.265724 O\n",
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{
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