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{
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{
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"structure_string": "Na12 Al12 Si12 O56\n1.0\n5.278567 0.000000 0.000000\n0.000000 15.268407 0.000000\n0.000000 0.000000 16.337452\nNa Al Si O\n12 12 12 56\ndirect\n0.963679 0.245544 0.080189 Na\n0.463679 0.754456 0.919811 Na\n0.463679 0.745544 0.419811 Na\n0.963679 0.254456 0.580189 Na\n0.458224 0.255267 0.406773 Na\n0.958224 0.744733 0.593227 Na\n0.958224 0.755267 0.093227 Na\n0.458224 0.244733 0.906773 Na\n0.543562 0.488529 0.221148 Na\n0.043562 0.511471 0.778852 Na\n0.043562 0.988529 0.278852 Na\n0.543562 0.011471 0.721148 Na\n0.980580 0.245814 0.295183 Al\n0.480580 0.754186 0.704817 Al\n0.480580 0.745814 0.204817 Al\n0.980580 0.254186 0.795183 Al\n0.490348 0.391582 0.047163 Al\n0.990348 0.608418 0.952837 Al\n0.990348 0.891582 0.452837 Al\n0.490348 0.108418 0.547163 Al\n0.504093 0.104747 0.050491 Al\n0.004093 0.895253 0.949509 Al\n0.004093 0.604747 0.449509 Al\n0.504093 0.395253 0.550491 Al\n0.483748 0.253419 0.191805 Si\n0.983748 0.746581 0.808195 Si\n0.983748 0.753419 0.308195 Si\n0.483748 0.246581 0.691805 Si\n0.007886 0.391572 0.438473 Si\n0.507886 0.608428 0.561527 Si\n0.507886 0.891572 0.061527 Si\n0.007886 0.108428 0.938473 Si\n0.991276 0.111374 0.441052 Si\n0.491276 0.888626 0.558948 Si\n0.491276 0.611374 0.058948 Si\n0.991276 0.388626 0.941052 Si\n0.150406 0.484127 0.148864 O\n0.650406 0.515873 0.851136 O\n0.650406 0.984127 0.351136 O\n0.150406 0.015873 0.648864 O\n0.583092 0.175639 0.131369 O\n0.083092 0.824361 0.868631 O\n0.083092 0.675639 0.368631 O\n0.583092 0.324361 0.631369 O\n0.178052 0.245936 0.208140 O\n0.678052 0.754064 0.791860 O\n0.678052 0.745936 0.291860 O\n0.178052 0.254064 0.708140 O\n0.078345 0.332432 0.358520 O\n0.578345 0.667568 0.641480 O\n0.578345 0.832432 0.141480 O\n0.078345 0.167568 0.858520 O\n0.721174 0.146280 0.477484 O\n0.221174 0.853720 0.522516 O\n0.221174 0.646280 0.022516 O\n0.721174 0.353720 0.977484 O\n0.208316 0.147987 0.504100 O\n0.708316 0.852013 0.495900 O\n0.708316 0.647987 0.995900 O\n0.208316 0.352013 0.004100 O\n0.044281 0.146716 0.348529 O\n0.544281 0.853284 0.651471 O\n0.544281 0.646716 0.151471 O\n0.044281 0.353284 0.848529 O\n0.651524 0.252031 0.276186 O\n0.151524 0.747969 0.723814 O\n0.151524 0.752031 0.223814 O\n0.651524 0.247969 0.776186 O\n0.208384 0.362931 0.510582 O\n0.708384 0.637069 0.489418 O\n0.708384 0.862931 0.989418 O\n0.208384 0.137069 0.010582 O\n0.544390 0.347610 0.145124 O\n0.044390 0.652390 0.854876 O\n0.044390 0.847610 0.354876 O\n0.544390 0.152390 0.645124 O\n0.599679 0.486382 0.369916 O\n0.099679 0.513618 0.630084 O\n0.099679 0.986382 0.130084 O\n0.599679 0.013618 0.869916 O\n0.722679 0.365449 0.471635 O\n0.222679 0.634551 0.528365 O\n0.222679 0.865449 0.028365 O\n0.722679 0.134551 0.971635 O\n0.002017 0.004353 0.435163 O\n0.502017 0.995647 0.564837 O\n0.502017 0.504353 0.064837 O\n0.002017 0.495647 0.935163 O\n0.024462 0.495948 0.417168 O\n0.524462 0.504052 0.582832 O\n0.524462 0.995948 0.082832 O\n0.024462 0.004052 0.917168 O\n",
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"spacegroup": 33
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{
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"created_at": "2022-09-04T14:41:27.958036Z",
"structure_string": "Mg14 Fe1 Ni1 O16\n1.0\n8.528243 0.000000 0.000000\n0.000000 8.528243 0.000000\n0.000000 0.000000 4.262104\nMg Fe Ni O\n14 1 1 16\ndirect\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.250140 0.500000 Mg\n0.000000 0.749860 0.500000 Mg\n0.500000 0.250789 0.500000 Mg\n0.500000 0.749211 0.500000 Mg\n0.250140 0.000000 0.500000 Mg\n0.250789 0.500000 0.500000 Mg\n0.749860 0.000000 0.500000 Mg\n0.749211 0.500000 0.500000 Mg\n0.251005 0.251005 0.000000 Mg\n0.251005 0.748995 0.000000 Mg\n0.748995 0.251005 0.000000 Mg\n0.748995 0.748995 0.000000 Mg\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.000000 Ni\n0.254284 0.000000 0.000000 O\n0.249498 0.500000 0.000000 O\n0.745716 0.000000 0.000000 O\n0.750502 0.500000 0.000000 O\n0.249877 0.249877 0.500000 O\n0.249877 0.750123 0.500000 O\n0.750123 0.249877 0.500000 O\n0.750123 0.750123 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.254284 0.000000 O\n0.000000 0.745716 0.000000 O\n0.500000 0.249498 0.000000 O\n0.500000 0.750502 0.000000 O\n",
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{
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{
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{
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