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{
"id": "jvasp-96743",
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"structure_string": "Nb8 Zn4 O24\n1.0\n5.085971 0.000000 0.000000\n0.000000 5.807221 0.000000\n0.000000 0.000000 14.358224\nNb Zn O\n8 4 24\ndirect\n0.250864 0.316187 0.659806 Nb\n0.749136 0.683813 0.340193 Nb\n0.249136 0.816187 0.159806 Nb\n0.750864 0.683813 0.659806 Nb\n0.750864 0.183813 0.840193 Nb\n0.749136 0.183813 0.159806 Nb\n0.249136 0.316187 0.340193 Nb\n0.250864 0.816187 0.840193 Nb\n0.750000 0.171430 0.500000 Zn\n0.250000 0.828570 0.500000 Zn\n0.750000 0.671430 0.000000 Zn\n0.250000 0.328570 0.000000 Zn\n0.425548 0.105100 0.904935 O\n0.086055 0.615367 0.079280 O\n0.586055 0.884632 0.420720 O\n0.413945 0.615367 0.920719 O\n0.913945 0.884632 0.579280 O\n0.925547 0.394899 0.595065 O\n0.920777 0.378075 0.255560 O\n0.074452 0.605100 0.404935 O\n0.420777 0.121925 0.244440 O\n0.579223 0.378075 0.744439 O\n0.079223 0.121925 0.755560 O\n0.079223 0.621925 0.744439 O\n0.579223 0.878075 0.755560 O\n0.420777 0.621925 0.255560 O\n0.074452 0.105100 0.095065 O\n0.920777 0.878075 0.244440 O\n0.413945 0.115367 0.579280 O\n0.586055 0.384632 0.079280 O\n0.086055 0.115367 0.420720 O\n0.925547 0.894899 0.904935 O\n0.425548 0.605100 0.595065 O\n0.574452 0.894899 0.095065 O\n0.913945 0.384632 0.920719 O\n0.574452 0.394899 0.404935 O\n",
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{
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"structure_string": "Ba4 Li2 B10 O20\n1.0\n0.000000 4.442765 -0.018776\n14.682084 0.000000 0.000000\n0.000000 -1.657670 -6.506141\nBa Li B O\n4 2 10 20\ndirect\n0.335424 0.910741 0.696595 Ba\n0.664577 0.410741 0.303405 Ba\n0.664577 0.089259 0.303405 Ba\n0.335424 0.589259 0.696595 Ba\n0.988143 0.750000 0.978191 Li\n0.011859 0.250000 0.021810 Li\n0.558362 0.663649 0.175747 B\n0.441639 0.163649 0.824253 B\n0.441639 0.336350 0.824253 B\n0.233121 0.250000 0.496133 B\n0.558362 0.836350 0.175747 B\n0.953157 0.420630 0.823113 B\n0.046844 0.920630 0.176887 B\n0.046844 0.579370 0.176887 B\n0.953157 0.079370 0.823113 B\n0.766880 0.750000 0.503867 B\n0.665696 0.831968 0.403624 O\n0.780894 0.354376 0.894553 O\n0.219108 0.854376 0.105447 O\n0.219108 0.645623 0.105447 O\n0.780894 0.145623 0.894553 O\n0.665696 0.668031 0.403624 O\n0.334306 0.168031 0.596377 O\n0.334306 0.331969 0.596377 O\n0.378159 0.250000 0.917291 O\n0.279053 0.413080 0.897543 O\n0.830724 0.487337 0.692062 O\n0.169277 0.987337 0.307938 O\n0.169277 0.512663 0.307938 O\n0.830724 0.012663 0.692062 O\n0.720948 0.586920 0.102457 O\n0.279053 0.086920 0.897543 O\n0.950838 0.750000 0.695461 O\n0.720948 0.913080 0.102457 O\n0.621843 0.750000 0.082710 O\n0.049164 0.250000 0.304540 O\n",
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{
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"created_at": "2022-09-04T14:37:10.335290Z",
"updated_at": "2022-09-04T14:37:10.335323Z",
"structure_string": "Mo12 Cl24\n1.0\n8.958493 0.074695 0.000000\n-1.894689 8.756159 -0.000000\n-0.000000 -0.000000 11.325229\nMo Cl\n12 24\ndirect\n0.633465 0.366534 0.500000 Mo\n0.435196 0.435196 0.350210 Mo\n0.133465 0.866535 0.000000 Mo\n0.849956 0.849956 0.935441 Mo\n0.064803 0.064803 0.850210 Mo\n0.564803 0.564803 0.649790 Mo\n0.366534 0.633465 0.500000 Mo\n0.935196 0.935196 0.149790 Mo\n0.150043 0.150044 0.064559 Mo\n0.650043 0.650043 0.435441 Mo\n0.349956 0.349956 0.564559 Mo\n0.866534 0.133465 0.000000 Mo\n0.831620 0.578138 0.581687 Cl\n0.142333 0.142333 0.642567 Cl\n0.804903 0.195096 0.500000 Cl\n0.921861 0.668379 0.081687 Cl\n0.304903 0.695097 0.000000 Cl\n0.791976 0.044327 0.795395 Cl\n0.544327 0.291976 0.704605 Cl\n0.578138 0.831621 0.581687 Cl\n0.668379 0.921861 0.081687 Cl\n0.421861 0.168379 0.418313 Cl\n0.708023 0.455673 0.295395 Cl\n0.331621 0.078138 0.918313 Cl\n0.195096 0.804903 0.500000 Cl\n0.642333 0.642333 0.857433 Cl\n0.695096 0.304903 0.000000 Cl\n0.044327 0.791976 0.795395 Cl\n0.291976 0.544327 0.704605 Cl\n0.955672 0.208023 0.204605 Cl\n0.357667 0.357667 0.142567 Cl\n0.078138 0.331621 0.918313 Cl\n0.168379 0.421862 0.418313 Cl\n0.208024 0.955673 0.204605 Cl\n0.857666 0.857666 0.357433 Cl\n0.455673 0.708024 0.295395 Cl\n",
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{
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"created_at": "2022-09-04T14:36:15.148359Z",
"updated_at": "2022-09-04T14:36:15.148367Z",
"structure_string": "Sr12 Al8 N16\n1.0\n5.936400 0.000000 0.000000\n-0.000000 9.574946 0.000000\n0.000000 0.000000 10.035558\nSr Al N\n12 8 16\ndirect\n0.882761 0.915301 0.655335 Sr\n0.617239 0.915301 0.344666 Sr\n0.617239 0.584700 0.155334 Sr\n0.882761 0.584700 0.844666 Sr\n0.117239 0.084700 0.344666 Sr\n0.382761 0.084700 0.655335 Sr\n0.382761 0.415300 0.844666 Sr\n0.117239 0.415300 0.155334 Sr\n0.750000 0.904294 0.000000 Sr\n0.750000 0.595707 0.500000 Sr\n0.250000 0.095706 0.000000 Sr\n0.250000 0.404294 0.500000 Sr\n0.332039 0.750000 0.750000 Al\n0.167961 0.750000 0.250000 Al\n0.832039 0.250000 0.750000 Al\n0.667961 0.250000 0.250000 Al\n0.250000 0.770386 0.000000 Al\n0.750000 0.270386 0.500000 Al\n0.750000 0.229614 0.000000 Al\n0.250000 0.729615 0.500000 Al\n0.481005 0.670600 0.903342 N\n0.018995 0.670600 0.096658 N\n0.981005 0.170600 0.596658 N\n0.518995 0.170600 0.403342 N\n0.518995 0.329400 0.096658 N\n0.981005 0.329400 0.903342 N\n0.367334 0.627238 0.353525 N\n0.132666 0.872763 0.853526 N\n0.367334 0.872763 0.146475 N\n0.632666 0.372763 0.646475 N\n0.867334 0.372763 0.353525 N\n0.867334 0.127237 0.146475 N\n0.632666 0.127237 0.853526 N\n0.481005 0.829400 0.596658 N\n0.132666 0.627238 0.646475 N\n0.018995 0.829400 0.403342 N\n",
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{
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"created_at": "2022-09-04T14:36:31.184489Z",
"updated_at": "2022-09-04T14:36:31.184516Z",
"structure_string": "H16 C18 S2\n1.0\n5.158720 -0.022413 0.574646\n0.445898 7.997617 0.835875\n-0.107830 -0.036115 8.471843\nH C S\n16 18 2\ndirect\n0.312125 0.193812 0.376539 H\n0.335033 0.493372 0.907047 H\n0.645420 0.303394 0.612001 H\n0.675881 0.604122 0.635751 H\n0.925539 0.057688 0.570879 H\n0.261033 0.761321 0.808563 H\n0.223452 0.030241 0.652958 H\n0.312255 0.193761 0.876569 H\n0.166161 0.770596 0.617403 H\n0.645265 0.303474 0.111995 H\n0.675755 0.604196 0.135750 H\n0.166034 0.770669 0.117394 H\n0.925290 0.057747 0.070885 H\n0.260922 0.761387 0.308552 H\n0.223261 0.030309 0.152895 H\n0.334935 0.493418 0.407016 H\n0.088380 0.748781 0.743855 C\n0.178448 0.451905 0.845808 C\n0.164036 0.282391 0.830151 C\n0.913430 0.899164 0.779405 C\n0.009722 0.570545 0.771595 C\n0.977019 0.226909 0.741999 C\n0.807889 0.514084 0.696004 C\n0.791769 0.343972 0.681903 C\n0.014142 0.054567 0.684900 C\n0.088266 0.748845 0.243847 C\n0.163909 0.282446 0.330124 C\n0.913307 0.899223 0.279410 C\n0.009613 0.570608 0.271580 C\n0.976873 0.226972 0.241982 C\n0.807766 0.514154 0.195994 C\n0.791630 0.344044 0.181892 C\n0.013963 0.054629 0.184883 C\n0.178340 0.451959 0.345780 C\n0.648720 0.895957 0.401863 S\n0.648802 0.895912 0.901820 S\n",
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"structure_string": "Rb12 Na4 Pb4 O16\n1.0\n6.665532 0.000000 0.000000\n0.000000 10.246613 -4.115775\n0.000000 0.026834 11.172194\nRb Na Pb O\n12 4 4 16\ndirect\n0.620561 0.316966 0.892779 Rb\n0.679934 0.970254 0.330194 Rb\n0.179934 0.029745 0.169805 Rb\n0.879439 0.316966 0.392780 Rb\n0.887135 0.540765 0.185585 Rb\n0.112865 0.459234 0.814414 Rb\n0.820066 0.970254 0.830193 Rb\n0.612865 0.540765 0.685585 Rb\n0.120561 0.683033 0.607219 Rb\n0.379439 0.683033 0.107220 Rb\n0.320066 0.029745 0.669805 Rb\n0.387135 0.459234 0.314414 Rb\n0.619816 0.125378 0.109550 Na\n0.880184 0.125378 0.609549 Na\n0.119816 0.874622 0.390450 Na\n0.380184 0.874622 0.890449 Na\n0.853715 0.758947 0.009163 Pb\n0.146285 0.241052 0.990836 Pb\n0.353715 0.241052 0.490837 Pb\n0.646285 0.758947 0.509162 Pb\n0.991823 0.793857 0.188838 O\n0.617670 0.896823 0.049478 O\n0.075206 0.773823 0.880642 O\n0.508177 0.793857 0.688838 O\n0.424793 0.773823 0.380641 O\n0.882330 0.896822 0.549478 O\n0.382330 0.103177 0.950521 O\n0.735810 0.568535 0.942311 O\n0.924793 0.226176 0.119357 O\n0.575206 0.226176 0.619357 O\n0.008177 0.206142 0.811161 O\n0.117670 0.103177 0.450521 O\n0.235810 0.431465 0.557688 O\n0.264189 0.431465 0.057688 O\n0.764189 0.568535 0.442311 O\n0.491823 0.206142 0.311161 O\n",
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