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{
"id": "jvasp-63775",
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"structure_string": "Li2 B12 H20 O4\n1.0\n4.464199 5.387480 0.018070\n-4.464199 5.387480 0.018070\n0.000000 3.480553 6.336140\nLi B H O\n2 12 20 4\ndirect\n0.361669 0.361669 0.516499 Li\n0.638330 0.638330 0.483501 Li\n0.798324 0.997157 0.221169 B\n0.949248 0.949248 0.810555 B\n0.823867 0.823867 0.084070 B\n0.176133 0.176133 0.915930 B\n0.090962 0.768707 0.968265 B\n0.050752 0.050752 0.189445 B\n0.909037 0.231293 0.031735 B\n0.768707 0.090962 0.968265 B\n0.997157 0.798324 0.221169 B\n0.201676 0.002843 0.778831 B\n0.002843 0.201676 0.778831 B\n0.231293 0.909037 0.031735 B\n0.603705 0.155356 0.946239 H\n0.087133 0.087133 0.322173 H\n0.912867 0.912867 0.677827 H\n0.698236 0.698236 0.145293 H\n0.301763 0.301763 0.854707 H\n0.155356 0.603705 0.946239 H\n0.396295 0.844644 0.053761 H\n0.844644 0.396295 0.053761 H\n0.992587 0.654158 0.379116 H\n0.721855 0.546534 0.830989 H\n0.007413 0.345841 0.620883 H\n0.654158 0.992587 0.379116 H\n0.453465 0.278145 0.169011 H\n0.546534 0.721855 0.830989 H\n0.278145 0.453465 0.169011 H\n0.757523 0.300956 0.376994 H\n0.699044 0.242476 0.623006 H\n0.242476 0.699044 0.623006 H\n0.300956 0.757523 0.376994 H\n0.345841 0.007413 0.620883 H\n0.376007 0.376007 0.242136 O\n0.337940 0.662059 0.500000 O\n0.662059 0.337940 0.500000 O\n0.623993 0.623993 0.757864 O\n",
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{
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"structure_string": "Ti8 S16 Cl12 O2\n1.0\n8.686912 -0.000000 2.835099\n4.343457 8.054018 1.417549\n-0.072145 0.000000 12.670986\nTi S Cl O\n8 16 12 2\ndirect\n0.863564 0.377838 0.856737 Ti\n0.212191 0.937955 0.211279 Ti\n0.150146 0.062045 0.711279 Ti\n0.136435 0.622162 0.143264 Ti\n0.241403 0.622162 0.356736 Ti\n0.849854 0.937955 0.288721 Ti\n0.787808 0.062045 0.788722 Ti\n0.758596 0.377838 0.643264 Ti\n0.470282 0.691017 0.264331 S\n0.161298 0.308984 0.764331 S\n0.287190 0.863275 0.386145 S\n0.595365 0.577864 0.792462 S\n0.173230 0.422136 0.292462 S\n0.082474 0.859845 0.828427 S\n0.404634 0.422136 0.207538 S\n0.838701 0.691017 0.235669 S\n0.942319 0.140155 0.328427 S\n0.826770 0.577864 0.707538 S\n0.849536 0.863275 0.113856 S\n0.057680 0.859845 0.671574 S\n0.529718 0.308984 0.735670 S\n0.917525 0.140155 0.171574 S\n0.150464 0.136726 0.886145 S\n0.712810 0.136726 0.613856 S\n0.295849 0.782884 0.034431 Cl\n0.565519 0.077589 0.370087 Cl\n0.791694 0.525946 0.005699 Cl\n0.356892 0.077589 0.129913 Cl\n0.078733 0.217116 0.534431 Cl\n0.434480 0.922411 0.629913 Cl\n0.682360 0.525946 0.494301 Cl\n0.643108 0.922411 0.870088 Cl\n0.208306 0.474055 -0.005699 Cl\n0.921266 0.782884 0.465570 Cl\n0.704150 0.217116 0.965570 Cl\n0.317640 0.474055 0.505699 Cl\n0.109700 0.780600 0.250000 O\n0.890299 0.219401 0.750000 O\n",
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{
"id": "jvasp-26771",
"created_at": "2022-09-04T14:38:29.042955Z",
"updated_at": "2022-09-04T14:38:29.042990Z",
"structure_string": "Rb4 U2 Si8 O24\n1.0\n-6.878943 0.071499 -0.003927\n1.775297 8.012948 -0.013216\n-0.209584 -3.231670 -10.785711\nRb U Si O\n4 2 8 24\ndirect\n0.194061 0.298069 0.991157 Rb\n0.830862 0.743663 0.655243 Rb\n0.805937 0.701931 0.008844 Rb\n0.169137 0.256338 0.344758 Rb\n0.322392 0.713242 0.831201 U\n0.677607 0.286759 0.168800 U\n0.618719 0.131231 0.830651 Si\n0.700325 0.250321 0.482713 Si\n0.964935 0.325113 0.711020 Si\n0.678043 0.861163 0.380325 Si\n0.381280 0.868769 0.169350 Si\n0.321956 0.138838 0.619676 Si\n0.299673 0.749679 0.517288 Si\n0.035064 0.674888 0.288981 Si\n0.629269 0.264047 0.968452 O\n0.504570 0.568528 0.800095 O\n0.146327 0.865764 0.864746 O\n0.168278 0.628426 0.390694 O\n0.853672 0.134236 0.135254 O\n0.534438 0.797835 0.483667 O\n0.728184 0.345767 0.375958 O\n0.830182 0.168854 0.760237 O\n0.440614 0.167287 0.749538 O\n0.145276 0.244889 0.635486 O\n0.781505 0.067125 0.439844 O\n0.577184 0.927825 0.826884 O\n0.831720 0.371575 0.609306 O\n0.854722 0.755112 0.364515 O\n0.465560 0.202166 0.516334 O\n0.370729 0.735953 0.031549 O\n0.495429 0.431473 0.199905 O\n0.169816 0.831146 0.239764 O\n0.948795 0.505018 0.176193 O\n0.422815 0.072176 0.173116 O\n0.559384 0.832713 0.250462 O\n0.051204 0.494983 0.823808 O\n0.218493 0.932876 0.560156 O\n0.271815 0.654233 0.624043 O\n",
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{
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"created_at": "2022-09-04T14:35:46.763359Z",
"updated_at": "2022-09-04T14:35:46.763385Z",
"structure_string": "Ti6 Bi8 O24\n1.0\n5.450845 0.000000 0.000000\n0.000000 5.406039 -0.899317\n0.000000 0.006005 16.734348\nTi Bi O\n6 8 24\ndirect\n0.003678 0.327545 0.743569 Ti\n0.503677 0.083977 0.256431 Ti\n0.496322 0.827545 0.743569 Ti\n0.996322 0.583977 0.256431 Ti\n0.500000 0.965112 -0.000000 Ti\n0.000000 0.465112 -0.000000 Ti\n0.503198 0.434088 0.867752 Bi\n0.980415 0.796869 0.577840 Bi\n0.480415 0.719029 0.422160 Bi\n0.519584 0.296869 0.577840 Bi\n0.003199 0.066337 0.132248 Bi\n0.996801 0.934088 0.867752 Bi\n0.019584 0.219029 0.422160 Bi\n0.496801 0.566337 0.132248 Bi\n0.245816 -0.005741 0.502160 O\n0.924298 0.475800 0.117168 O\n0.075701 0.358632 0.882832 O\n0.254183 0.494259 0.502159 O\n0.745816 -0.007901 0.497841 O\n0.698559 0.765473 0.249766 O\n0.747908 0.675713 0.979670 O\n0.301440 0.515707 0.750234 O\n0.801440 0.265473 0.249766 O\n0.198559 0.015706 0.750234 O\n0.221071 0.825562 0.220392 O\n0.778929 0.605170 0.779608 O\n0.278929 0.325562 0.220392 O\n0.721070 0.105170 0.779608 O\n0.442906 0.135389 0.362001 O\n0.557093 0.773388 0.637999 O\n0.057093 0.635389 0.362001 O\n0.942906 0.273388 0.637999 O\n0.575701 0.975800 0.117168 O\n0.424298 0.858632 0.882832 O\n0.752090 0.175713 0.979670 O\n0.247909 0.196044 0.020330 O\n0.252091 0.696044 0.020330 O\n0.754183 0.492100 0.497840 O\n",
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{
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"structure_string": "Ba5 Nd8 Mn4 O21\n1.0\n5.572026 0.000000 1.624234\n2.786012 9.945663 0.812117\n0.002711 0.000000 10.360387\nBa Nd Mn O\n5 8 4 21\ndirect\n0.863484 0.674298 0.598733 Ba\n0.462218 0.401267 0.674298 Ba\n0.136516 0.325702 0.401267 Ba\n0.537782 0.598733 0.325702 Ba\n0.000000 0.000000 0.000000 Ba\n0.590903 0.054442 0.763753 Nd\n0.249927 0.913992 0.586155 Nd\n0.645345 0.763753 0.945558 Nd\n0.409097 0.945558 0.236247 Nd\n0.750073 0.086008 0.413845 Nd\n0.163919 0.586154 0.086008 Nd\n0.354656 0.236247 0.054442 Nd\n0.836081 0.413845 0.913992 Nd\n0.041776 0.200470 0.715978 Mn\n0.757755 0.284022 0.200469 Mn\n0.242246 0.715978 0.799531 Mn\n0.958224 0.799530 0.284022 Mn\n0.029030 0.603987 0.337953 O\n0.970971 0.396013 0.662048 O\n0.091668 0.872463 0.408003 O\n0.366983 0.662047 0.603987 O\n0.499671 0.591997 0.872464 O\n0.964133 0.408002 0.127536 O\n0.372134 0.127536 0.591997 O\n0.908332 0.127536 0.591997 O\n0.500329 0.408002 0.127536 O\n0.035867 0.591997 0.872464 O\n0.627866 0.872463 0.408003 O\n0.939014 0.858735 0.773812 O\n0.712826 0.226188 0.858736 O\n0.797750 0.773811 0.141264 O\n0.571561 0.141264 0.226188 O\n0.060986 0.141264 0.226189 O\n0.287174 0.773811 0.141265 O\n0.202250 0.226188 0.858736 O\n0.428439 0.858735 0.773812 O\n0.500000 -0.000000 -0.000000 O\n0.633017 0.337952 0.396013 O\n",
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