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{
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{
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{
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"structure_string": "Mg30 Si1 Ni1 O32\n1.0\n8.540295 0.000000 0.000000\n0.000000 8.540295 0.000000\n0.000000 0.000000 8.542326\nMg Si Ni O\n30 1 1 32\ndirect\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.248210 0.248210 0.000000 Mg\n0.248210 0.751790 0.000000 Mg\n0.751790 0.248210 0.000000 Mg\n0.751790 0.751790 0.000000 Mg\n0.249846 0.249846 0.500000 Mg\n0.249846 0.750154 0.500000 Mg\n0.750154 0.249846 0.500000 Mg\n0.750154 0.750154 0.500000 Mg\n0.000000 0.249516 0.249455 Mg\n0.000000 0.750484 0.249455 Mg\n0.500000 0.248739 0.251139 Mg\n0.500000 0.751261 0.251139 Mg\n0.000000 0.249516 0.750545 Mg\n0.000000 0.750484 0.750545 Mg\n0.500000 0.248739 0.748861 Mg\n0.500000 0.751261 0.748861 Mg\n0.249516 0.000000 0.249455 Mg\n0.248739 0.500000 0.251139 Mg\n0.750484 0.000000 0.249455 Mg\n0.751261 0.500000 0.251139 Mg\n0.249516 0.000000 0.750545 Mg\n0.248739 0.500000 0.748861 Mg\n0.750484 0.000000 0.750545 Mg\n0.751261 0.500000 0.748861 Mg\n0.500000 0.500000 0.000000 Si\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.250635 O\n0.000000 0.500000 0.251078 O\n0.500000 0.000000 0.251078 O\n0.500000 0.500000 0.259696 O\n0.000000 0.000000 0.749365 O\n0.000000 0.500000 0.748922 O\n0.500000 0.000000 0.748922 O\n0.500000 0.500000 0.740304 O\n0.250137 0.250137 0.249444 O\n0.250137 0.749863 0.249444 O\n0.749863 0.250137 0.249444 O\n0.749863 0.749863 0.249444 O\n0.250137 0.250137 0.750556 O\n0.250137 0.749863 0.750556 O\n0.749863 0.250137 0.750556 O\n0.749863 0.749863 0.750556 O\n0.000000 0.250243 0.000000 O\n0.000000 0.749757 0.000000 O\n0.500000 0.240593 0.000000 O\n0.500000 0.759407 0.000000 O\n0.000000 0.249520 0.500000 O\n0.000000 0.750480 0.500000 O\n0.500000 0.248920 0.500000 O\n0.500000 0.751080 0.500000 O\n0.250243 0.000000 0.000000 O\n0.240593 0.500000 0.000000 O\n0.749757 0.000000 0.000000 O\n0.759407 0.500000 0.000000 O\n0.249520 0.000000 0.500000 O\n0.248920 0.500000 0.500000 O\n0.750480 0.000000 0.500000 O\n0.751080 0.500000 0.500000 O\n",
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{
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"created_at": "2022-09-04T14:40:06.988453Z",
"structure_string": "H20 N4 O4\n1.0\n5.085411 0.000000 0.000000\n0.000000 6.195992 0.000000\n0.000000 0.000000 7.834534\nH N O\n20 4 4\ndirect\n0.750836 0.715712 0.361681 H\n0.742541 0.699054 0.563572 H\n0.420552 0.423032 0.374295 H\n0.759996 0.303816 0.593956 H\n0.096192 0.421874 0.376064 H\n0.749164 0.284288 0.861681 H\n0.757459 0.300946 0.063572 H\n0.403808 0.578126 0.876064 H\n0.740004 0.696184 0.093956 H\n0.079448 0.576968 0.874295 H\n0.242541 0.800946 0.436428 H\n0.250836 0.784288 0.638319 H\n0.920552 0.076968 0.625705 H\n0.259996 0.196184 0.406044 H\n0.596192 0.078126 0.623936 H\n0.249164 0.215712 0.138319 H\n0.257459 0.199054 0.936428 H\n0.579448 0.923032 0.125705 H\n0.903808 0.921874 0.123936 H\n0.240004 0.803816 0.906044 H\n0.741736 0.836370 0.163756 N\n0.758264 0.163630 0.663756 N\n0.241736 0.663630 0.836244 N\n0.258264 0.336370 0.336244 N\n0.762099 0.610067 0.461574 O\n0.737901 0.389933 0.961574 O\n0.262099 0.889933 0.538426 O\n0.237901 0.110067 0.038426 O\n",
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{
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"created_at": "2022-09-04T14:40:08.977591Z",
"structure_string": "Be4 Tl4 Zn2 O12 F16\n1.0\n13.822849 0.000000 0.000000\n0.000000 5.308837 0.000000\n0.000000 1.532479 7.344720\nBe Tl Zn O F\n4 4 2 12 16\ndirect\n0.114206 0.300034 0.401484 Be\n0.885794 0.699966 0.598516 Be\n0.614206 0.699966 0.098516 Be\n0.385794 0.300034 0.901484 Be\n0.814193 0.193679 0.352353 Tl\n0.185807 0.806321 0.647647 Tl\n0.314193 0.806321 0.147647 Tl\n0.685807 0.193679 0.852353 Tl\n0.000000 0.500000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.160567 0.764580 0.068692 O\n0.839433 0.235420 0.931308 O\n0.660567 0.235420 0.431308 O\n0.339433 0.764580 0.568692 O\n0.356918 0.613497 0.445125 O\n0.643082 0.386503 0.554875 O\n0.856918 0.386503 0.054875 O\n0.143082 0.613497 0.945125 O\n0.033721 0.080820 0.988458 O\n0.966279 0.919180 0.011542 O\n0.533721 0.919180 0.511542 O\n0.466279 0.080820 0.488458 O\n0.151382 0.562269 0.437330 F\n0.848618 0.437731 0.562670 F\n0.651382 0.437731 0.062670 F\n0.348618 0.562269 0.937330 F\n0.420113 0.134066 0.092777 F\n0.579887 0.865934 0.907223 F\n0.920113 0.865934 0.407223 F\n0.079887 0.134066 0.592777 F\n0.025880 0.358430 0.264547 F\n0.974120 0.641570 0.735453 F\n0.525880 0.641570 0.235453 F\n0.474120 0.358430 0.764547 F\n0.196673 0.133592 0.340559 F\n0.803327 0.866408 0.659441 F\n0.696673 0.866408 0.159441 F\n0.303327 0.133592 0.840559 F\n",
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{
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{
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{
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{
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