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{
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{
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"structure_string": "Ba1 Ca1 Fe4 O8\n1.0\n2.736583 -4.739902 0.000000\n2.736583 4.739902 -0.000000\n-0.000000 -0.000000 7.727790\nBa Ca Fe O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ca\n0.333332 0.666666 0.242624 Fe\n0.666666 0.333332 0.242624 Fe\n0.333332 0.666666 0.757376 Fe\n0.666666 0.333332 0.757376 Fe\n0.328022 -0.000000 0.303633 O\n0.671977 0.671977 0.303633 O\n-0.000000 0.328022 0.303633 O\n0.671977 -0.000000 0.696367 O\n-0.000000 0.671977 0.696367 O\n0.328022 0.328022 0.696367 O\n0.333332 0.666666 0.000000 O\n0.666666 0.333332 0.000000 O\n",
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{
"id": "jvasp-11509",
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"structure_string": "Ba1 Ca1 Fe4 O8\n1.0\n2.736694 -4.740093 0.000000\n2.736694 4.740093 0.000000\n-0.000000 0.000000 7.727735\nBa Ca Fe O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ca\n0.333332 0.666666 0.757370 Fe\n0.666666 0.333332 0.757370 Fe\n0.333332 0.666666 0.242631 Fe\n0.666666 0.333332 0.242631 Fe\n0.328043 0.328043 0.696352 O\n0.671956 -0.000000 0.696352 O\n-0.000000 0.671956 0.696352 O\n0.671956 0.671956 0.303649 O\n-0.000000 0.328043 0.303649 O\n0.328043 -0.000000 0.303649 O\n0.333332 0.666666 0.000000 O\n0.666666 0.333332 0.000000 O\n",
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{
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"structure_string": "Ba4 Ca4 Ga4 F28\n1.0\n5.429077 0.000000 -0.219581\n0.000000 5.448870 0.000000\n0.008153 0.000000 19.219531\nBa Ca Ga F\n4 4 4 28\ndirect\n0.247674 0.237779 0.568299 Ba\n0.252325 0.237779 0.931701 Ba\n0.752326 0.762221 0.431701 Ba\n0.747675 0.762221 0.068299 Ba\n0.250000 0.676025 0.750000 Ca\n0.750000 0.323975 0.250000 Ca\n0.250000 0.793467 0.250000 Ca\n0.750000 0.206533 0.750000 Ca\n0.701274 0.773472 0.880749 Ga\n0.798726 0.773472 0.619251 Ga\n0.201274 0.226528 0.380749 Ga\n0.298726 0.226528 0.119251 Ga\n0.076822 0.496222 0.325180 F\n0.575104 0.629728 0.308923 F\n0.075103 0.370272 0.808923 F\n0.424896 0.370272 0.691077 F\n0.576822 0.503778 0.825180 F\n0.923178 0.503778 0.674820 F\n0.423178 0.496222 0.174820 F\n0.924897 0.629728 0.191077 F\n0.775536 0.060634 0.936204 F\n0.942517 0.870140 0.816015 F\n0.724464 0.060634 0.563796 F\n0.224464 0.939366 0.063796 F\n0.275536 0.939366 0.436204 F\n0.526664 0.024465 0.177749 F\n0.973337 0.024465 0.322252 F\n0.473336 0.975535 0.822251 F\n0.026663 0.975535 0.677748 F\n0.442517 0.129860 0.316015 F\n0.564660 0.282452 0.057493 F\n0.435340 0.717548 0.942507 F\n0.064659 0.717548 0.557493 F\n0.589154 0.591405 0.560259 F\n0.910846 0.591405 0.939741 F\n0.410846 0.408595 0.439741 F\n0.089154 0.408595 0.060259 F\n0.557483 0.870140 0.683985 F\n0.935341 0.282452 0.442507 F\n0.057483 0.129860 0.183985 F\n",
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{
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"created_at": "2022-09-04T14:36:10.978539Z",
"updated_at": "2022-09-04T14:36:10.978553Z",
"structure_string": "Ba1 Ca2 Ga1\n1.0\n3.761145 0.000000 0.000000\n0.000000 3.761145 0.000000\n0.000000 0.000000 10.146749\nBa Ca Ga\n1 2 1\ndirect\n0.500001 0.500001 0.500000 Ba\n0.000000 0.000000 0.828617 Ca\n0.000000 0.000000 0.171383 Ca\n0.500001 0.500001 0.000000 Ga\n",
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{
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"structure_string": "Ba1 Ca1 Ga4 O8\n1.0\n4.811057 0.000000 2.007934\n2.141069 6.169911 1.637618\n0.014464 0.009740 6.733014\nBa Ca Ga O\n1 1 4 8\ndirect\n0.986331 0.000000 -0.000001 Ba\n0.068882 0.500000 0.500000 Ca\n0.373078 0.458263 0.876652 Ga\n0.707995 0.123348 0.541736 Ga\n0.707995 0.541737 0.123347 Ga\n0.373078 0.876652 0.458263 Ga\n0.734864 0.867843 0.460427 O\n0.063135 0.132156 0.539572 O\n0.426597 0.189376 0.810623 O\n0.426598 0.810623 0.189376 O\n0.063135 0.539572 0.132157 O\n0.734864 0.460427 0.867843 O\n0.581465 0.325510 0.325510 O\n0.232486 0.674489 0.674489 O\n",
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"structure_string": "Ba2 Ca1 Ge1\n1.0\n0.000000 4.204713 4.204713\n4.204713 -0.000000 4.204713\n4.204713 4.204713 0.000000\nBa Ca Ge\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.749999 0.749999 Ba\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ge\n",
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{
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{
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}