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{
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{
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{
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{
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"structure_string": "Na4 Mo4 P8 O28\n1.0\n8.321559 0.000000 0.000000\n0.000000 7.562805 0.000000\n0.000000 3.688156 9.225980\nNa Mo P O\n4 4 8 28\ndirect\n0.980596 0.715198 0.786118 Na\n0.480596 0.284802 0.713882 Na\n0.019404 0.284802 0.213882 Na\n0.519404 0.715198 0.286118 Na\n0.504853 0.743435 0.749739 Mo\n0.004853 0.256565 0.750261 Mo\n0.495147 0.256565 0.250261 Mo\n0.995147 0.743435 0.249739 Mo\n0.716987 0.328071 0.953789 P\n0.216987 0.671929 0.546211 P\n0.283013 0.671929 0.046211 P\n0.783013 0.328071 0.453789 P\n0.753687 0.926785 0.957992 P\n0.253687 0.073215 0.542008 P\n0.246313 0.073215 0.042008 P\n0.746313 0.926785 0.457992 P\n0.666648 0.127435 0.939107 O\n0.166648 0.872565 0.560893 O\n0.333352 0.872565 0.060893 O\n0.833352 0.127435 0.439107 O\n0.390738 0.627239 0.602319 O\n0.890738 0.372761 0.897681 O\n0.609262 0.372761 0.397681 O\n0.109262 0.627239 0.102319 O\n0.719285 0.816891 0.620015 O\n0.219285 0.183109 0.879985 O\n0.280715 0.183109 0.379985 O\n0.780715 0.816891 0.120015 O\n0.409715 0.026232 0.631838 O\n0.909715 0.973768 0.868162 O\n0.590285 0.973768 0.368162 O\n0.090285 0.026232 0.131838 O\n0.908201 0.459168 0.354105 O\n0.408201 0.540832 0.145895 O\n0.091799 0.540832 0.645895 O\n0.591799 0.459168 0.854105 O\n0.208804 0.691794 0.387507 O\n0.708804 0.308206 0.112493 O\n0.791196 0.308206 0.612493 O\n0.291196 0.691794 0.887507 O\n0.869885 0.827509 0.399926 O\n0.369885 0.172491 0.100074 O\n0.130115 0.172491 0.600074 O\n0.630115 0.827509 0.899926 O\n",
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{
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"created_at": "2022-09-04T14:46:25.245004Z",
"structure_string": "Si2 H18 C6 Cl2\n1.0\n7.988406 0.000000 0.000000\n0.000000 6.608991 0.000000\n0.000000 0.126066 6.920110\nSi H C Cl\n2 18 6 2\ndirect\n0.750000 0.314919 0.314593 Si\n0.250000 0.685081 0.685407 Si\n0.947186 0.297333 0.036279 H\n0.552814 0.297333 0.036279 H\n0.953172 0.072102 0.181257 H\n0.546828 0.072102 0.181257 H\n0.443252 0.294274 0.260677 H\n0.056748 0.294274 0.260677 H\n0.361865 0.710137 0.351476 H\n0.138135 0.710137 0.351476 H\n0.250000 0.933345 0.412262 H\n0.750000 0.066655 0.587738 H\n0.861865 0.289863 0.648524 H\n0.638135 0.289863 0.648524 H\n0.943252 0.705726 0.739323 H\n0.556748 0.705726 0.739323 H\n0.453172 0.927898 0.818743 H\n0.046828 0.927898 0.818743 H\n0.447186 0.702667 0.963721 H\n0.052814 0.702667 0.963721 H\n0.945042 0.238290 0.185774 C\n0.554958 0.238290 0.185774 C\n0.250000 0.767084 0.425383 C\n0.750000 0.232916 0.574617 C\n0.445042 0.761710 0.814226 C\n0.054958 0.761710 0.814226 C\n0.750000 0.635510 0.315284 Cl\n0.250000 0.364490 0.684716 Cl\n",
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{
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{
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"structure_string": "Cs6 Fe6 F18\n1.0\n3.150437 -5.456716 0.000000\n3.150437 5.456716 0.000000\n0.000000 0.000000 14.847482\nCs Fe F\n6 6 18\ndirect\n0.000000 0.000000 0.250000 Cs\n0.000000 0.000000 0.750000 Cs\n0.333333 0.666667 0.095355 Cs\n0.666667 0.333333 0.595355 Cs\n0.666667 0.333333 0.904645 Cs\n0.333333 0.666667 0.404645 Cs\n0.000000 0.000000 0.000000 Fe\n0.333333 0.666667 0.652964 Fe\n0.666667 0.333333 0.152964 Fe\n0.666667 0.333333 0.347036 Fe\n0.333333 0.666667 0.847036 Fe\n0.000000 0.000000 0.500000 Fe\n0.331916 0.165958 0.078928 F\n0.834042 0.165958 0.421072 F\n0.834042 0.668084 0.421072 F\n0.331916 0.165958 0.421072 F\n0.668084 0.834042 0.921072 F\n0.165958 0.331916 0.578928 F\n0.522088 0.044176 0.250000 F\n0.477912 0.522088 0.750000 F\n0.044176 0.522088 0.750000 F\n0.955824 0.477912 0.250000 F\n0.522088 0.477912 0.250000 F\n0.477912 0.955824 0.750000 F\n0.834042 0.668084 0.078928 F\n0.165958 0.834042 0.578928 F\n0.668084 0.834042 0.578928 F\n0.165958 0.331916 0.921072 F\n0.834042 0.165958 0.078928 F\n0.165958 0.834042 0.921072 F\n",
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{
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{
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}