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{
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{
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"structure_string": "Li3 Ti1 Co3 O8\n1.0\n4.944371 -0.006912 3.082426\n1.707285 4.640262 3.082426\n-0.009922 -0.006912 5.826495\nLi Ti Co O\n3 1 3 8\ndirect\n0.000000 0.000000 0.500000 Li\n0.000001 0.500000 0.000000 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.000000 0.000000 Ti\n0.000001 0.500000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.500000 0.000000 0.500001 Co\n0.241566 0.738869 0.241566 O\n0.241566 0.241566 0.738870 O\n0.738869 0.241566 0.241566 O\n0.736536 0.736535 0.736536 O\n0.263465 0.263465 0.263465 O\n0.261132 0.758435 0.758435 O\n0.758435 0.758435 0.261132 O\n0.758435 0.261131 0.758436 O\n",
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{
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"updated_at": "2022-09-04T14:38:32.125285Z",
"structure_string": "Sr1 Mo6 S8\n1.0\n6.604856 0.004857 0.120291\n0.118209 6.603801 0.120291\n0.004940 0.004857 6.605950\nSr Mo S\n1 6 8\ndirect\n0.000000 0.000000 0.000000 Sr\n0.769797 0.582108 0.437103 Mo\n0.437104 0.769797 0.582107 Mo\n0.582108 0.437104 0.769796 Mo\n0.417893 0.562897 0.230203 Mo\n0.562897 0.230204 0.417892 Mo\n0.230204 0.417893 0.562896 Mo\n0.754641 0.754641 0.754640 S\n0.875422 0.257346 0.616709 S\n0.257346 0.616710 0.875421 S\n0.616710 0.875422 0.257346 S\n0.124579 0.742655 0.383291 S\n0.742655 0.383291 0.124579 S\n0.245360 0.245360 0.245360 S\n0.383291 0.124579 0.742654 S\n",
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{
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"structure_string": "Te2 Os1 Cl12\n1.0\n6.433719 -0.051986 0.037937\n3.061966 6.158972 0.082355\n2.703344 2.567148 10.138423\nTe Os Cl\n2 1 12\ndirect\n0.737809 0.748585 0.747642 Te\n0.262192 0.251414 0.252357 Te\n0.000000 0.000000 0.000000 Os\n0.030399 0.699881 0.562979 Cl\n0.969601 0.300119 0.437020 Cl\n0.557391 0.556518 0.693841 Cl\n0.403433 0.790702 0.989453 Cl\n0.596568 0.209298 0.010546 Cl\n-0.002079 0.027844 0.211327 Cl\n0.002079 0.972156 0.788672 Cl\n0.074927 0.327002 0.899632 Cl\n0.925074 0.672997 0.100368 Cl\n0.503651 0.890453 0.364395 Cl\n0.496350 0.109546 0.635605 Cl\n0.442610 0.443481 0.306158 Cl\n",
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"structure_string": "As4 P1 Rh10\n1.0\n3.995881 -0.008022 16.167215\n1.961549 3.481301 16.167215\n-0.013759 -0.008022 16.653700\nAs P Rh\n4 1 10\ndirect\n0.601308 0.601309 0.601309 As\n0.200483 0.200484 0.200484 As\n0.799516 0.799517 0.799517 As\n0.398691 0.398692 0.398692 As\n0.000000 0.000000 0.000000 P\n0.047524 0.047524 0.047524 Rh\n0.850134 0.850135 0.850134 Rh\n0.449182 0.449182 0.449182 Rh\n0.651635 0.651636 0.651635 Rh\n0.251277 0.251278 0.251278 Rh\n0.348365 0.348365 0.348365 Rh\n0.149866 0.149866 0.149866 Rh\n0.748722 0.748723 0.748723 Rh\n0.952476 0.952477 0.952476 Rh\n0.550818 0.550819 0.550818 Rh\n",
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{
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"created_at": "2022-09-04T14:38:48.258375Z",
"updated_at": "2022-09-04T14:38:48.258398Z",
"structure_string": "Ba6 Re2 N6 O1\n1.0\n6.832577 -0.022753 3.057743\n1.972662 6.541653 3.057743\n-0.030733 -0.022753 7.485516\nBa Re N O\n6 2 6 1\ndirect\n0.335313 0.181685 0.737042 Ba\n0.181685 0.737042 0.335313 Ba\n0.737042 0.335313 0.181684 Ba\n0.664687 0.818315 0.262957 Ba\n0.818316 0.262958 0.664687 Ba\n0.262958 0.664687 0.818315 Ba\n0.249488 0.249488 0.249488 Re\n0.750512 0.750512 0.750511 Re\n0.244824 0.030678 0.478939 N\n0.030677 0.478939 0.244824 N\n0.478939 0.244824 0.030677 N\n0.755177 0.969323 0.521060 N\n0.969323 0.521062 0.755176 N\n0.521061 0.755177 0.969322 N\n0.500000 0.500000 0.500000 O\n",
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"structure_string": "H5 C7 S1 N1 O1\n1.0\n3.705881 0.024799 -0.142941\n-0.151684 5.432728 -0.135044\n-0.023286 -0.052322 7.629493\nH C S N O\n5 7 1 1 1\ndirect\n0.713153 0.153877 0.601570 H\n0.233152 0.838749 0.249195 H\n0.193247 0.852888 0.577691 H\n0.750066 0.140975 0.273640 H\n0.535760 0.726101 0.830851 H\n0.307983 0.695284 0.509845 C\n0.328075 0.688159 0.328610 C\n0.450085 0.503524 0.607797 C\n0.490269 0.488947 0.246966 C\n0.594792 0.298039 0.523514 C\n0.616395 0.290610 0.341019 C\n0.435113 0.396665 0.927441 C\n0.240690 0.119620 0.926330 S\n0.481140 0.546418 0.791768 N\n0.575985 0.525525 0.072577 O\n",
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"structure_string": "Li3 Fe4 O8\n1.0\n5.617249 -0.000271 0.003688\n-2.810146 3.978083 2.798470\n-0.002893 -0.087237 5.757201\nLi Fe O\n3 4 8\ndirect\n-0.000000 0.499999 0.500000 Li\n0.500000 0.499999 0.500000 Li\n0.500000 -0.000000 0.500000 Li\n-0.000001 0.500000 0.000000 Fe\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.242538 0.979407 0.783658 O\n0.263064 0.526195 0.216343 O\n0.241242 0.482413 0.776346 O\n0.263062 0.020600 0.216338 O\n0.736937 0.979398 0.783663 O\n0.758758 0.517586 0.223655 O\n0.736935 0.473803 0.783658 O\n0.757462 0.020592 0.216343 O\n",
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"structure_string": "Li3 Mn1 V3 O8\n1.0\n4.986701 0.000049 2.862019\n-1.630576 4.849297 2.841023\n0.014949 0.046326 5.749153\nLi Mn V O\n3 1 3 8\ndirect\n0.501458 0.493743 0.502394 Li\n-0.003858 0.493756 0.502373 Li\n0.996197 0.493605 0.007605 Li\n0.503589 0.510799 -0.007177 Mn\n0.492803 -0.001037 0.493899 V\n0.013300 -0.001037 0.493901 V\n0.492835 0.998977 0.014334 V\n0.740326 0.220925 0.519350 O\n0.250089 0.750347 0.499822 O\n0.265754 0.257033 0.468492 O\n0.265817 0.257097 0.008689 O\n0.725495 0.257096 0.008689 O\n0.277678 0.756197 0.983092 O\n0.739230 0.756193 0.983096 O\n0.739276 0.756293 0.521448 O\n",
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"structure_string": "Li3 Ni4 O8\n1.0\n5.013015 -0.027520 -0.000825\n-1.759976 4.729124 -2.832406\n0.000889 0.000179 5.664987\nLi Ni O\n3 4 8\ndirect\n0.000000 0.000001 -0.000038 Li\n-0.000007 0.500036 0.000042 Li\n0.000006 0.499964 0.500005 Li\n0.500000 -0.000002 0.251941 Ni\n0.509013 0.504576 0.252289 Ni\n0.490984 0.495421 0.747714 Ni\n0.500000 0.000001 0.748060 Ni\n0.297098 0.748932 0.374487 O\n0.702900 0.251068 0.625554 O\n0.283383 0.754170 0.877058 O\n0.716615 0.245830 0.122888 O\n0.276572 0.277633 0.898217 O\n0.276604 0.277600 0.379392 O\n0.723428 0.722367 0.620588 O\n0.723395 0.722399 0.101795 O\n",
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}