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"structure_string": "Na10 Mo2 N2 O8\n1.0\n5.706505 0.046426 -0.000000\n-2.797356 4.974047 0.000000\n0.000000 -0.000000 10.714907\nNa Mo N O\n10 2 2 8\ndirect\n0.809428 0.190572 0.500000 Na\n0.809428 0.190572 0.000000 Na\n0.169812 0.545041 0.750000 Na\n0.545041 0.169813 0.750000 Na\n0.500000 0.500001 0.000000 Na\n0.190571 0.809429 0.500000 Na\n0.190571 0.809429 0.000000 Na\n0.500000 0.500001 0.500000 Na\n0.830187 0.454960 0.250000 Na\n0.454959 0.830189 0.250000 Na\n0.792029 0.792031 0.750000 Mo\n0.207970 0.207971 0.250000 Mo\n0.906440 0.906442 0.250000 N\n0.093559 0.093559 0.750000 N\n0.558498 0.834420 0.627204 O\n0.834419 0.558500 0.627204 O\n0.441501 0.165581 0.372797 O\n0.165580 0.441502 0.372797 O\n0.165580 0.441502 0.127204 O\n0.441501 0.165581 0.127204 O\n0.834419 0.558500 0.872797 O\n0.558498 0.834420 0.872797 O\n",
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{
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{
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"created_at": "2022-09-04T14:38:34.069026Z",
"updated_at": "2022-09-04T14:38:34.069051Z",
"structure_string": "Sc1 H1 O2\n1.0\n3.251849 0.000000 0.000000\n0.000000 3.251849 0.000000\n0.000000 0.000000 3.898512\nSc H O\n1 1 2\ndirect\n0.500000 0.500000 0.530049 Sc\n0.000000 0.000000 0.846350 H\n0.000000 0.000000 0.591144 O\n0.500000 0.500000 0.042455 O\n",
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{
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"structure_string": "Mg2 Mo2 H4 O10\n1.0\n5.667948 0.009181 -0.026057\n-1.640674 5.612098 -0.005940\n-0.595630 -1.504828 6.727520\nMg Mo H O\n2 2 4 10\ndirect\n0.640799 0.708007 0.194465 Mg\n0.359202 0.291992 0.805535 Mg\n0.745062 0.879049 0.748405 Mo\n0.254939 0.120951 0.251595 Mo\n0.079249 0.597806 0.192478 H\n0.920752 0.402194 0.807521 H\n0.873208 0.351774 0.202004 H\n0.126793 0.648226 0.797996 H\n0.077603 0.967405 0.790143 O\n0.922398 0.032594 0.209857 O\n0.637999 0.767656 0.494474 O\n0.362002 0.232343 0.505526 O\n0.379097 0.359951 0.122809 O\n0.354226 0.862266 0.169724 O\n0.620904 0.640049 0.877190 O\n0.090178 0.469749 0.777870 O\n0.645775 0.137734 0.830276 O\n0.909823 0.530250 0.222130 O\n",
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"structure_string": "Sr2 H2 Cl2 O2\n1.0\n2.074231 -3.592673 0.000000\n2.074231 3.592673 0.000000\n0.000000 0.000000 9.938450\nSr H Cl O\n2 2 2 2\ndirect\n0.333333 0.666667 0.195733 Sr\n0.666667 0.333333 0.695733 Sr\n0.000000 0.000000 0.863008 H\n0.000000 0.000000 0.363008 H\n0.666667 0.333333 0.008285 Cl\n0.333333 0.666667 0.508285 Cl\n0.000000 0.000000 0.264474 O\n0.000000 0.000000 0.764474 O\n",
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"structure_string": "Li2 Mn2 F10\n1.0\n5.143933 0.079455 -0.461054\n2.487096 4.622735 1.540519\n-0.010758 -0.088188 7.001369\nLi Mn F\n2 2 10\ndirect\n0.314833 0.297441 0.767203 Li\n0.685168 0.702557 0.232798 Li\n-0.000000 -0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.137674 0.010718 0.256316 F\n0.216663 0.163234 0.562404 F\n0.025789 0.653664 0.126328 F\n0.313162 0.643730 0.629652 F\n0.616304 0.174202 0.013004 F\n0.862327 0.989280 0.743685 F\n0.383697 0.825796 0.986997 F\n0.686839 0.356268 0.370350 F\n0.974212 0.346334 0.873674 F\n0.783338 0.836764 0.437597 F\n",
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"structure_string": "Cd1 N2 Cl2\n1.0\n0.000000 0.000000 -3.739739\n-3.641436 -4.102314 0.000000\n-3.641436 4.102314 0.000000\nCd N Cl\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.302529 0.697472 N\n0.000000 0.697472 0.302529 N\n0.500000 0.755731 0.755731 Cl\n0.500000 0.244270 0.244270 Cl\n",
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{
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"structure_string": "Li4 Al4 Si8 O24\n1.0\n0.000000 5.188713 0.023598\n8.498787 0.000000 0.000000\n0.000000 -1.982730 -8.933243\nLi Al Si O\n4 4 8 24\ndirect\n0.022010 0.012538 0.252675 Li\n0.477990 0.512538 0.747324 Li\n0.977989 0.987463 0.747324 Li\n0.522010 0.487463 0.252675 Li\n0.026284 0.654716 0.249924 Al\n0.473715 0.154716 0.750075 Al\n0.973715 0.345284 0.750075 Al\n0.526284 0.845284 0.249924 Al\n0.813278 0.658158 0.549859 Si\n0.686721 0.158157 0.450141 Si\n0.313278 0.841843 0.549859 Si\n0.186721 0.341843 0.450141 Si\n0.228902 0.657193 0.952377 Si\n0.728901 0.842807 0.952377 Si\n0.771098 0.342807 0.047623 Si\n0.271098 0.157193 0.047623 Si\n0.248725 0.830347 0.363411 O\n0.376263 0.211441 0.391891 O\n0.123737 0.711441 0.608108 O\n0.769082 0.491530 0.624452 O\n0.730916 0.991530 0.375547 O\n0.230917 0.508470 0.375547 O\n0.269083 0.008470 0.624453 O\n0.748724 0.669653 0.363411 O\n0.751275 0.169653 0.636589 O\n0.251275 0.330347 0.636589 O\n0.012517 0.217378 0.109733 O\n0.197622 0.170261 0.861725 O\n0.987483 0.782623 0.890267 O\n0.512516 0.282623 0.109733 O\n0.329783 0.984738 0.117761 O\n0.170216 0.484738 0.882239 O\n0.670216 0.015262 0.882239 O\n0.829783 0.515262 0.117761 O\n0.876262 0.288560 0.391891 O\n0.302377 0.670261 0.138275 O\n0.802377 0.829740 0.138275 O\n0.697622 0.329740 0.861725 O\n0.487483 0.717378 0.890267 O\n0.623736 0.788560 0.608108 O\n",
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"structure_string": "Li4 Al4 Si8 O24\n1.0\n5.077633 0.000000 -1.067559\n0.000000 8.498623 0.000000\n-0.143740 0.000000 9.149542\nLi Al Si O\n4 4 8 24\ndirect\n0.022036 0.012535 0.252703 Li\n0.477964 0.512535 0.747297 Li\n0.977963 0.987465 0.747297 Li\n0.522036 0.487465 0.252702 Li\n0.026312 0.654715 0.249923 Al\n0.473688 0.154715 0.750077 Al\n0.973687 0.345285 0.750077 Al\n0.526312 0.845285 0.249923 Al\n0.813264 0.658151 0.549849 Si\n0.686735 0.158151 0.450151 Si\n0.313265 0.841848 0.549849 Si\n0.186735 0.341849 0.450151 Si\n0.228963 0.657197 0.952366 Si\n0.728962 0.842803 0.952366 Si\n0.771037 0.342803 0.047633 Si\n0.271037 0.157197 0.047634 Si\n0.248734 0.830347 0.363404 O\n0.376259 0.211429 0.391897 O\n0.123740 0.711429 0.608102 O\n0.769035 0.491518 0.624433 O\n0.730964 0.991518 0.375567 O\n0.230965 0.508481 0.375567 O\n0.269035 0.008481 0.624433 O\n0.748734 0.669653 0.363404 O\n0.751265 0.169653 0.636596 O\n0.251266 0.330347 0.636596 O\n0.012376 0.217301 0.109734 O\n0.197589 0.170263 0.861732 O\n0.987624 0.782699 0.890266 O\n0.512375 0.282699 0.109734 O\n0.329850 0.984756 0.117784 O\n0.170150 0.484756 0.882216 O\n0.670150 0.015244 0.882216 O\n0.829850 0.515244 0.117784 O\n0.876259 0.288571 0.391897 O\n0.302411 0.670263 0.138267 O\n0.802410 0.829736 0.138267 O\n0.697589 0.329736 0.861732 O\n0.487624 0.717301 0.890266 O\n0.623740 0.788571 0.608102 O\n",
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{
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"structure_string": "Ga2 Cu2 Cl8\n1.0\n5.302701 0.000000 -0.000000\n0.000000 5.302701 -0.000000\n0.000000 0.000000 10.343601\nGa Cu Cl\n2 2 8\ndirect\n0.500000 0.000000 0.750000 Ga\n0.000000 0.500000 0.250000 Ga\n0.000000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.263549 0.750961 0.627571 Cl\n0.750961 0.736451 0.372429 Cl\n0.249038 0.263549 0.372429 Cl\n0.736451 0.750961 0.872429 Cl\n0.263549 0.249038 0.872429 Cl\n0.736451 0.249038 0.627571 Cl\n0.750961 0.263549 0.127571 Cl\n0.249038 0.736451 0.127571 Cl\n",
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}