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"structure_string": "Ti1 H22 C12 O4\n1.0\n4.739351 -0.053845 1.072321\n0.348524 7.181407 1.554908\n-0.115067 -0.376335 9.645480\nTi H C O\n1 22 12 4\ndirect\n0.223274 0.286258 0.837093 Ti\n0.909471 0.358577 0.182126 H\n0.667930 0.183535 0.249230 H\n0.011826 0.074166 0.468140 H\n0.506259 0.441210 0.386507 H\n0.565870 0.989907 0.927343 H\n0.525155 0.676399 0.088682 H\n0.348268 0.749096 0.248009 H\n0.064910 0.628913 0.913304 H\n0.807887 0.884063 0.162265 H\n0.984039 0.666233 0.167837 H\n0.266237 0.425764 0.275875 H\n0.010597 0.820765 0.374215 H\n0.117250 0.623013 0.723793 H\n0.679009 0.192369 0.458812 H\n0.260567 0.009651 0.066124 H\n0.764571 0.823803 0.651587 H\n0.443522 -0.042597 0.661159 H\n0.403489 0.737976 0.512314 H\n0.470203 0.948609 0.395827 H\n0.414826 0.636879 0.806511 H\n0.860909 0.605236 0.433719 H\n0.228493 0.926032 0.906638 H\n0.688141 0.327101 0.192797 C\n0.822105 0.745917 0.377193 C\n0.483185 0.460585 0.273692 C\n0.527844 0.662323 0.203836 C\n0.798140 0.741500 0.221315 C\n0.566963 0.838571 0.466464 C\n0.636480 0.319024 0.044970 C\n0.800343 0.102571 0.529646 C\n0.824502 0.211846 0.644588 C\n0.207212 0.580251 0.821450 C\n0.337653 0.022719 0.949891 C\n0.639148 0.923929 0.588254 C\n0.068318 0.223641 0.672194 O\n0.854619 0.275816 0.950939 O\n0.394086 0.342742 0.018584 O\n0.602449 0.291879 0.707312 O\n",
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{
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"structure_string": "K4 Nb11 Al2 O20 F1\n1.0\n7.715780 0.000000 -4.404432\n-2.514201 7.294660 -4.404432\n-0.000582 -0.000815 8.959534\nK Nb Al O F\n4 11 2 20 1\ndirect\n0.500000 0.808217 0.000000 K\n0.191783 0.500000 0.000000 K\n0.808217 0.500000 0.000000 K\n0.500000 0.191783 0.000000 K\n0.324236 0.000728 0.324965 Nb\n0.316447 0.316446 0.632893 Nb\n0.000000 0.000000 0.000000 Nb\n0.000728 0.324236 0.324965 Nb\n0.324236 0.324236 0.324965 Nb\n0.683553 0.683553 0.367107 Nb\n0.000728 0.000728 0.324965 Nb\n0.675764 0.675763 0.675035 Nb\n0.999272 0.675763 0.675035 Nb\n0.675764 0.999271 0.675035 Nb\n0.999272 0.999271 0.675035 Nb\n0.250000 0.750000 0.500000 Al\n0.750000 0.250000 0.500000 Al\n0.170332 0.170332 0.000000 O\n0.834239 0.494555 0.668478 O\n0.165761 0.826078 0.331522 O\n0.173922 0.834239 0.668478 O\n0.165761 0.505444 0.331522 O\n0.839061 0.839060 0.347115 O\n0.491945 0.491945 0.652885 O\n0.494556 0.834239 0.668478 O\n0.160940 0.491945 0.652885 O\n0.508055 0.839060 0.347115 O\n0.839061 0.508054 0.347115 O\n0.829668 0.170332 0.000000 O\n0.829668 0.829668 0.000000 O\n0.508055 0.508054 0.347115 O\n0.160940 0.160939 0.652885 O\n0.505445 0.165761 0.331522 O\n0.826078 0.165761 0.331522 O\n0.834239 0.173922 0.668477 O\n0.491945 0.160939 0.652885 O\n0.170332 0.829668 0.000000 O\n0.500000 0.500000 0.000000 F\n",
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"structure_string": "Tm4 Ni34\n1.0\n8.212304 -0.000000 -0.000000\n-4.106152 7.112064 -0.000000\n0.000000 -0.000000 7.964674\nTm Ni\n4 34\ndirect\n0.666666 0.333333 0.250000 Tm\n0.000000 0.000000 0.250000 Tm\n0.333333 0.666666 0.750000 Tm\n0.000000 0.000000 0.750000 Tm\n0.164965 0.835035 0.522523 Ni\n0.164965 0.329929 0.522523 Ni\n0.670070 0.835035 0.522523 Ni\n0.329929 0.164965 0.022524 Ni\n0.835035 0.670070 0.477476 Ni\n0.835035 0.164965 0.022524 Ni\n0.041638 0.672603 0.250000 Ni\n0.164965 0.835035 0.977476 Ni\n0.670070 0.835035 0.977476 Ni\n0.329929 0.164965 0.477476 Ni\n0.835035 0.164965 0.477476 Ni\n0.164965 0.329929 0.977476 Ni\n0.327397 0.369035 0.250000 Ni\n0.630965 0.958362 0.250000 Ni\n0.835035 0.670070 0.022524 Ni\n0.333333 0.666666 0.100753 Ni\n0.672603 0.630965 0.750000 Ni\n0.666666 0.333333 0.600753 Ni\n0.666666 0.333333 0.899246 Ni\n0.333333 0.666666 0.399246 Ni\n0.500000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n-0.000000 0.500000 0.500000 Ni\n-0.000000 0.500000 0.000000 Ni\n0.500000 0.500000 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.327397 0.958362 0.250000 Ni\n0.369035 0.327397 0.750000 Ni\n0.958362 0.630965 0.750000 Ni\n0.041638 0.369035 0.250000 Ni\n0.630965 0.672603 0.250000 Ni\n0.369035 0.041638 0.750000 Ni\n0.672603 0.041638 0.750000 Ni\n0.958362 0.327397 0.750000 Ni\n",
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{
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"structure_string": "Li24 Mg6 Si8\n1.0\n8.704611 0.000000 -3.077544\n-4.352305 7.538413 -3.077544\n-0.000000 -0.000000 9.232634\nLi Mg Si\n24 6 8\ndirect\n0.112769 0.082827 0.269708 Li\n0.887230 0.470058 0.156939 Li\n0.029942 0.917172 0.686879 Li\n0.343061 0.813120 0.730292 Li\n0.612769 0.769708 0.582827 Li\n0.769707 0.582827 0.612770 Li\n0.387230 0.656938 0.970058 Li\n0.186879 0.417173 0.529942 Li\n0.313120 0.843061 0.230292 Li\n0.082827 0.269708 0.112769 Li\n0.269708 0.112769 0.082827 Li\n0.970057 0.387230 0.656939 Li\n0.582827 0.612769 0.769708 Li\n0.230292 0.313120 0.843061 Li\n0.656938 0.970057 0.387231 Li\n0.529942 0.186880 0.417173 Li\n0.843061 0.230292 0.313121 Li\n0.686880 0.029942 0.917173 Li\n0.813120 0.730292 0.343062 Li\n0.730292 0.343061 0.813120 Li\n0.470058 0.156938 0.887230 Li\n0.156938 0.887230 0.470058 Li\n0.917172 0.686879 0.029943 Li\n0.417172 0.529942 0.186880 Li\n0.749999 0.875000 0.125000 Mg\n0.625000 0.375000 0.250000 Mg\n0.875000 0.125000 0.750000 Mg\n0.375000 0.250000 0.625000 Mg\n0.250000 0.625000 0.375000 Mg\n0.124999 0.750000 0.875000 Mg\n0.093026 0.500000 0.000000 Si\n0.406974 0.406974 0.406974 Si\n0.593026 0.500000 0.000000 Si\n-0.000000 0.593026 0.500000 Si\n0.500000 0.000000 0.593026 Si\n-0.000000 0.093026 0.500000 Si\n0.500000 -0.000000 0.093026 Si\n0.906973 0.906974 0.906974 Si\n",
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{
"id": "jvasp-101981",
"created_at": "2022-09-04T14:37:02.063863Z",
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"structure_string": "H16 Pb2 C12 O8\n1.0\n4.290954 0.110635 0.392233\n1.450933 7.645815 1.749500\n0.029888 0.036346 10.787396\nH Pb C O\n16 2 12 8\ndirect\n0.314605 0.832934 0.317396 H\n0.865447 0.123171 0.699685 H\n0.868259 0.625274 0.698645 H\n0.778384 0.355875 0.659656 H\n0.774833 0.857891 0.659622 H\n0.291814 0.854423 0.549342 H\n0.363543 0.123679 0.592676 H\n0.365331 0.622776 0.593048 H\n0.293083 0.355312 0.549234 H\n0.817505 0.835433 0.423004 H\n0.889781 0.102877 0.466816 H\n0.891019 0.603787 0.466716 H\n0.404445 0.102351 0.356401 H\n0.407985 0.600315 0.356451 H\n0.317469 0.335053 0.316353 H\n0.819365 0.334509 0.423377 H\n0.094343 0.478827 0.007704 Pb\n0.088532 0.979365 0.008355 Pb\n0.670536 0.239393 0.681170 C\n0.462370 0.248279 0.801603 C\n0.464341 0.746129 0.802164 C\n0.483216 0.235851 0.567879 C\n0.483302 0.735587 0.567969 C\n0.670649 0.740137 0.680993 C\n0.718525 0.712028 0.213903 C\n0.699533 0.722624 0.448087 C\n0.512343 0.218815 0.334880 C\n0.512193 0.718062 0.335066 C\n0.720518 0.209888 0.214453 C\n0.699667 0.222347 0.448172 C\n0.552559 0.631259 0.904468 O\n0.975990 0.596966 0.215260 O\n0.975004 0.092449 0.217215 O\n0.630350 0.826885 0.111586 O\n0.636748 0.324174 0.111413 O\n0.206850 0.861170 0.800825 O\n0.207878 0.365711 0.798860 O\n0.546152 0.133961 0.904627 O\n",
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{
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"created_at": "2022-09-04T14:38:28.762450Z",
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"structure_string": "Na4 Te8 Mo2 O24\n1.0\n5.795245 -0.000000 -0.000000\n-2.897622 8.416015 -2.310688\n-0.000000 -0.045479 11.274773\nNa Te Mo O\n4 8 2 24\ndirect\n0.980109 0.425786 0.269634 Na\n0.554322 0.574213 0.230365 Na\n0.019892 0.574213 0.730365 Na\n0.445679 0.425786 0.769634 Na\n0.125114 0.811689 0.405541 Te\n0.313426 0.188310 0.094459 Te\n0.874886 0.188310 0.594459 Te\n0.686575 0.811689 0.905541 Te\n0.162756 0.688992 0.064346 Te\n0.473765 0.311007 0.435653 Te\n0.837245 0.311007 0.935653 Te\n0.526236 0.688992 0.564346 Te\n0.331091 -0.000000 0.750000 Mo\n0.668910 -0.000000 0.250000 Mo\n0.836185 0.955927 0.358563 O\n0.880255 0.044072 0.141436 O\n0.610492 0.978511 0.867097 O\n0.631980 0.021489 0.632902 O\n0.389509 0.021489 0.132902 O\n0.368021 0.978511 0.367097 O\n0.696181 0.682255 0.745312 O\n0.013925 0.317744 0.754687 O\n0.303820 0.317744 0.254687 O\n0.986077 0.682256 0.245312 O\n0.344749 0.673533 0.905794 O\n0.170961 0.484263 0.070164 O\n0.655251 0.326466 0.094205 O\n0.328784 0.673533 0.405794 O\n0.313303 0.484263 0.570163 O\n0.829040 0.515737 0.929836 O\n0.686698 0.515737 0.429835 O\n0.119745 0.955927 0.858563 O\n0.503537 0.219480 0.838853 O\n0.284055 0.780519 0.661146 O\n0.496464 0.780519 0.161147 O\n0.715945 0.219480 0.338853 O\n0.671217 0.326466 0.594205 O\n0.163816 0.044072 0.641436 O\n",
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}