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{
"id": "jvasp-111396",
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"structure_string": "Fe1 P2 O7\n1.0\n5.011367 0.014015 0.723643\n-1.024444 4.905559 0.723643\n-0.002012 -0.002482 4.478708\nFe P O\n1 2 7\ndirect\n0.887798 0.112202 -0.000001 Fe\n0.736294 0.667593 0.592897 P\n0.332407 0.263707 0.407102 P\n0.448151 0.551850 0.499999 O\n0.146357 0.339468 0.179824 O\n0.569298 0.144686 0.272690 O\n0.660534 0.853644 0.820175 O\n0.855315 0.430702 0.727309 O\n0.928458 0.811338 0.293721 O\n0.188661 0.071543 0.706278 O\n",
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{
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{
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"structure_string": "P2 H4 F6\n1.0\n4.822531 -0.006840 0.000000\n-1.597814 4.550147 -0.000000\n0.000000 0.000000 6.028720\nP H F\n2 4 6\ndirect\n0.687068 0.312933 0.251080 P\n0.312933 0.687068 0.751080 P\n0.837212 0.612745 0.274638 H\n0.162789 0.387256 0.774638 H\n0.387255 0.162788 0.274638 H\n0.612746 0.837212 0.774638 H\n0.634458 0.365542 0.980938 F\n0.740129 0.259871 0.518346 F\n0.118339 0.881663 0.683360 F\n0.881662 0.118338 0.183360 F\n0.259872 0.740130 0.018346 F\n0.365543 0.634459 0.480938 F\n",
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{
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"updated_at": "2022-09-04T14:38:05.876578Z",
"structure_string": "Li4 Al2 Co2 O8\n1.0\n3.729439 3.749539 0.000000\n-3.729439 3.749539 0.000000\n0.000000 0.000000 6.303716\nLi Al Co O\n4 2 2 8\ndirect\n0.314312 0.685689 0.500000 Li\n0.182148 0.182148 0.750000 Li\n0.817852 0.817852 0.250000 Li\n0.685689 0.314312 0.000000 Li\n0.323905 0.676095 0.000000 Al\n0.676095 0.323905 0.500000 Al\n0.825906 0.825906 0.750000 Co\n0.174094 0.174094 0.250000 Co\n0.197901 0.817923 0.232576 O\n0.182078 0.802099 0.767425 O\n0.295849 0.339392 0.009827 O\n0.660608 0.704151 0.990174 O\n0.339392 0.295849 0.490174 O\n0.704151 0.660608 0.509827 O\n0.802099 0.182078 0.732576 O\n0.817923 0.197901 0.267424 O\n",
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{
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"structure_string": "Li8 Tb4 F24\n1.0\n0.000000 7.863173 -0.010134\n4.320792 0.000000 0.000000\n0.000000 -3.042057 -11.672277\nTb Li F\n4 8 24\ndirect\n0.250870 0.535284 0.999444 Tb\n0.250871 0.964715 0.499444 Tb\n0.749129 0.464715 0.000555 Tb\n0.749129 0.035285 0.500556 Tb\n0.945358 0.971571 0.821819 Li\n0.945358 0.528428 0.321819 Li\n0.054641 0.028428 0.178181 Li\n0.054641 0.471572 0.678181 Li\n0.619981 0.446928 0.695942 Li\n0.619981 0.053072 0.195942 Li\n0.380018 0.553071 0.304058 Li\n0.380018 0.946928 0.804058 Li\n0.022153 0.754610 0.557630 F\n0.699659 0.949489 0.053967 F\n0.300340 0.449490 0.446033 F\n0.391207 0.837613 0.164495 F\n0.608793 0.337613 0.335505 F\n0.608793 0.162387 0.835505 F\n0.391206 0.662386 0.664495 F\n0.022154 0.745389 0.057630 F\n0.300340 0.050510 0.946033 F\n0.977846 0.254610 0.942370 F\n0.109701 0.838385 0.316946 F\n0.534834 0.423592 0.105121 F\n0.890298 0.161615 0.683054 F\n0.109701 0.661614 0.816946 F\n0.890298 0.338385 0.183054 F\n0.534834 0.076407 0.605121 F\n0.699659 0.550510 0.553967 F\n0.465165 0.923592 0.394879 F\n0.757588 0.713305 0.827388 F\n0.757588 0.786695 0.327388 F\n0.242411 0.286695 0.172612 F\n0.465165 0.576407 0.894879 F\n0.977846 0.245389 0.442370 F\n0.242411 0.213305 0.672612 F\n",
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{
"id": "jvasp-45920",
"created_at": "2022-09-04T14:38:04.012036Z",
"updated_at": "2022-09-04T14:38:04.012062Z",
"structure_string": "Mn4 O4 F4\n1.0\n0.000000 5.086092 -0.118582\n4.585275 0.000000 0.000000\n0.000000 -0.130892 -5.667085\nMn O F\n4 4 4\ndirect\n0.224553 0.518569 0.655540 Mn\n0.224553 0.981433 0.155540 Mn\n0.775447 0.018568 0.844459 Mn\n0.775447 0.481432 0.344459 Mn\n0.082228 0.781404 0.885595 O\n0.082228 0.718598 0.385596 O\n0.917772 0.281403 0.614403 O\n0.917772 0.218597 0.114404 O\n0.427853 0.241911 0.879547 F\n0.427853 0.258089 0.379548 F\n0.572147 0.741912 0.620451 F\n0.572147 0.758090 0.120451 F\n",
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{
"id": "jvasp-119130",
"created_at": "2022-09-04T14:38:48.674502Z",
"updated_at": "2022-09-04T14:38:48.674518Z",
"structure_string": "Ti2 Nb2 Ga2 O12\n1.0\n4.674016 -0.000000 0.000000\n0.000000 4.674016 0.000000\n-0.000000 -0.000000 9.079525\nTi Nb Ga O\n2 2 2 12\ndirect\n0.500000 0.500000 0.499702 Ti\n0.000000 0.000000 0.999702 Ti\n0.500000 0.500000 0.833398 Nb\n0.000000 0.000000 0.333397 Nb\n0.500000 0.500000 0.167536 Ga\n0.000000 0.000000 0.667537 Ga\n0.700157 0.700157 0.000132 O\n0.304029 0.304029 0.664220 O\n0.306177 0.306177 0.335331 O\n0.299844 0.299844 0.000132 O\n0.806177 0.193823 0.835331 O\n0.193823 0.806177 0.835331 O\n0.804030 0.195971 0.164219 O\n0.693824 0.693824 0.335331 O\n0.200156 0.799845 0.500133 O\n0.195971 0.804030 0.164219 O\n0.799845 0.200156 0.500133 O\n0.695972 0.695972 0.664220 O\n",
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{
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"structure_string": "Li2 Nb1 F6\n1.0\n2.479379 -4.294411 -0.000000\n2.479379 4.294411 -0.000000\n0.000000 -0.000000 4.657352\nLi Nb F\n2 1 6\ndirect\n0.333333 0.666667 0.500000 Li\n0.666667 0.333333 0.500000 Li\n0.000000 0.000000 0.000000 Nb\n0.328671 0.328671 0.742368 F\n0.000000 0.671329 0.742368 F\n0.000000 0.328671 0.257632 F\n0.671329 0.000000 0.742368 F\n0.671329 0.671329 0.257632 F\n0.328671 0.000000 0.257632 F\n",
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{
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"created_at": "2022-09-04T14:37:09.214811Z",
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"structure_string": "Zn2 P2 O7\n1.0\n4.482865 0.021696 -0.735628\n-1.077300 5.073976 -1.195933\n0.017080 -0.007463 5.323128\nZn P O\n2 2 7\ndirect\n0.500002 0.691198 0.308801 Zn\n0.500000 0.308803 0.691199 Zn\n0.092231 0.784575 0.784574 P\n0.907771 0.215427 0.215426 P\n0.276708 0.930400 0.624844 O\n0.723294 0.375158 0.069602 O\n0.723294 0.069602 0.375157 O\n0.276708 0.624843 0.930399 O\n0.213600 0.381529 0.381529 O\n-0.000000 0.000000 0.000001 O\n0.786402 0.618472 0.618472 O\n",
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"structure_string": "Co6 O2 F10\n1.0\n5.536239 -0.002975 -0.012860\n1.868053 5.260226 -0.013015\n2.305696 1.585843 6.802287\nCo O F\n6 2 10\ndirect\n0.499999 0.500001 0.000000 Co\n0.500000 0.500000 0.500001 Co\n0.873921 0.800576 0.162521 Co\n0.826854 0.816765 0.676580 Co\n0.173145 0.183236 0.323421 Co\n0.126079 0.199425 0.837480 Co\n0.164513 0.518981 0.159251 O\n0.835486 0.481020 0.840750 O\n0.072634 0.065397 0.134467 F\n0.391081 0.408865 0.800859 F\n0.743114 0.723887 0.464606 F\n0.927366 0.934604 0.865534 F\n0.199519 0.810491 0.496732 F\n0.608919 0.591136 0.199142 F\n0.559999 0.113846 0.166777 F\n0.800481 0.189509 0.503269 F\n0.256885 0.276114 0.535395 F\n0.440001 0.886155 0.833224 F\n",
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"structure_string": "Ti1 Mn2 O6\n1.0\n14.325244 -0.286696 -0.175357\n8.717386 2.607592 -0.120031\n8.717386 1.080864 2.376063\nTi Mn O\n1 2 6\ndirect\n0.666668 -0.000001 -0.000001 Ti\n0.995252 0.003553 0.003552 Mn\n0.338085 0.996445 0.996445 Mn\n0.230030 0.273967 0.273967 O\n0.580644 0.261611 0.261611 O\n0.103305 0.726031 0.726032 O\n0.923985 0.253051 0.253050 O\n0.409352 0.746947 0.746947 O\n0.752693 0.738386 0.738386 O\n",
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]
}