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{
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{
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{
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{
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"structure_string": "Bi16 Se40 Cl56\n1.0\n12.082925 0.000000 0.000000\n0.000000 12.328590 0.000000\n0.000000 0.000000 22.582041\nBi Se Cl\n16 40 56\ndirect\n0.807613 0.325564 0.569791 Bi\n0.692387 0.674436 0.069791 Bi\n0.307613 0.174436 0.430209 Bi\n0.192387 0.825564 0.930209 Bi\n0.475034 0.473680 0.516317 Bi\n0.024966 0.526320 0.016317 Bi\n0.975034 0.026320 0.483683 Bi\n0.524966 0.973680 0.983683 Bi\n0.108866 0.535987 0.481196 Bi\n0.391134 0.464013 0.981196 Bi\n0.608866 0.964013 0.518804 Bi\n0.891134 0.035987 0.018804 Bi\n0.770236 0.662522 0.431485 Bi\n0.729764 0.337478 0.931485 Bi\n0.270236 0.837478 0.568515 Bi\n0.229764 0.162522 0.068515 Bi\n0.095056 0.634939 0.241048 Se\n0.404944 0.365061 0.741048 Se\n0.595056 0.865061 0.758952 Se\n0.904944 0.134939 0.258952 Se\n0.108165 0.778662 0.164157 Se\n0.391835 0.221338 0.664157 Se\n0.608165 0.721338 0.835843 Se\n0.891835 0.278662 0.335843 Se\n0.293291 0.795297 0.156741 Se\n0.206709 0.204703 0.656741 Se\n0.793291 0.704703 0.843259 Se\n0.706709 0.295297 0.343259 Se\n0.327735 0.935385 0.235731 Se\n0.172265 0.064615 0.735731 Se\n0.827735 0.564615 0.764269 Se\n0.672265 0.435385 0.264269 Se\n0.155556 0.917105 0.290233 Se\n0.344444 0.082895 0.790233 Se\n0.655556 0.582895 0.709767 Se\n0.844444 0.417105 0.209767 Se\n0.164618 0.742531 0.324943 Se\n0.335382 0.257469 0.824943 Se\n0.664618 0.757469 0.675057 Se\n0.835382 0.242531 0.175057 Se\n0.256291 0.520575 0.217462 Se\n0.243709 0.479425 0.717462 Se\n0.756291 0.979425 0.782538 Se\n0.743709 0.020575 0.282538 Se\n0.377027 0.558350 0.293359 Se\n0.122973 0.441650 0.793359 Se\n0.877027 0.941650 0.706641 Se\n0.622973 0.058350 0.206641 Se\n0.500000 0.688341 0.249328 Se\n0.000000 0.311659 0.749328 Se\n0.000000 0.811659 0.750672 Se\n0.500000 0.188341 0.250672 Se\n0.457874 0.841573 0.302500 Se\n0.042126 0.158427 0.802500 Se\n0.957874 0.658427 0.697500 Se\n0.542126 0.341573 0.197500 Se\n0.720061 0.318837 0.671401 Cl\n0.779939 0.681163 0.171401 Cl\n0.220061 0.181163 0.328599 Cl\n0.279939 0.818837 0.828599 Cl\n0.967023 0.445192 0.605480 Cl\n0.532977 0.554808 0.105480 Cl\n0.467023 0.054808 0.394520 Cl\n0.032977 0.945192 0.894520 Cl\n0.925745 0.156536 0.602958 Cl\n0.574255 0.843464 0.102958 Cl\n0.425745 0.343464 0.397042 Cl\n0.074255 0.656536 0.897042 Cl\n0.440809 0.529883 0.625816 Cl\n0.059191 0.470117 0.125816 Cl\n0.940809 0.970117 0.374184 Cl\n0.559191 0.029883 0.874184 Cl\n0.555937 0.284943 0.534923 Cl\n0.944063 0.715057 0.034923 Cl\n0.055937 0.215057 0.465077 Cl\n0.444063 0.784943 0.965077 Cl\n0.687022 0.537888 0.548680 Cl\n0.812978 0.462112 0.048680 Cl\n0.187022 0.962112 0.451320 Cl\n0.312978 0.037888 0.951320 Cl\n0.271540 0.372101 0.527966 Cl\n0.228460 0.627899 0.027966 Cl\n0.771540 0.127899 0.472034 Cl\n0.728460 0.872101 0.972034 Cl\n0.131743 0.482942 0.372348 Cl\n0.368257 0.517058 0.872348 Cl\n0.631743 0.017058 0.627652 Cl\n0.868257 0.982942 0.127652 Cl\n0.296956 0.640779 0.464235 Cl\n0.203044 0.359221 0.964235 Cl\n0.796956 0.859221 0.535765 Cl\n0.703044 0.140779 0.035765 Cl\n0.010531 0.720407 0.463277 Cl\n0.489469 0.279593 0.963277 Cl\n0.510531 0.779593 0.536723 Cl\n0.989469 0.220407 0.036723 Cl\n0.885780 0.456915 0.450330 Cl\n0.614220 0.543085 0.950330 Cl\n0.385780 0.043085 0.549670 Cl\n0.114220 0.956915 0.049670 Cl\n0.839707 0.647813 0.326648 Cl\n0.660293 0.352187 0.826648 Cl\n0.339707 0.852187 0.673352 Cl\n0.160293 0.147813 0.173352 Cl\n0.590282 0.562661 0.401904 Cl\n0.909718 0.437339 0.901904 Cl\n0.090282 0.937339 0.598096 Cl\n0.409718 0.062661 0.098096 Cl\n0.663464 0.845074 0.399904 Cl\n0.836536 0.154926 0.899904 Cl\n0.163464 0.654926 0.600096 Cl\n0.336536 0.345074 0.100096 Cl\n",
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{
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{
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{
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{
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{
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"structure_string": "Rb12 Fe4 Mo16 O60\n1.0\n14.047119 0.000000 0.000000\n0.000000 10.018508 0.000000\n0.000000 0.633567 11.856454\nRb Fe Mo O\n12 4 16 60\ndirect\n0.051943 0.181602 0.739584 Rb\n0.551943 0.318398 0.260416 Rb\n0.948057 0.818398 0.260416 Rb\n0.448057 0.681602 0.739584 Rb\n0.814993 0.106296 0.500900 Rb\n0.314993 0.393704 0.499100 Rb\n0.185007 0.893704 0.499100 Rb\n0.685007 0.606296 0.500900 Rb\n0.685903 0.618491 0.007905 Rb\n0.185903 0.881509 0.992095 Rb\n0.314097 0.381509 0.992095 Rb\n0.814097 0.118491 0.007905 Rb\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.559503 0.277330 0.601161 Mo\n0.059503 0.222670 0.398839 Mo\n0.440497 0.722670 0.398839 Mo\n0.940497 0.777330 0.601161 Mo\n0.568976 0.301434 0.901971 Mo\n0.068976 0.198566 0.098029 Mo\n0.431024 0.698566 0.098029 Mo\n0.931024 0.801434 0.901971 Mo\n0.633820 0.942634 0.264178 Mo\n0.133820 0.557366 0.735822 Mo\n0.366180 0.057366 0.735822 Mo\n0.866180 0.442634 0.264178 Mo\n0.647591 0.991262 0.768059 Mo\n0.147591 0.508738 0.231941 Mo\n0.352409 0.008738 0.231941 Mo\n0.852409 0.491262 0.768059 Mo\n0.513352 0.438309 0.612106 O\n0.013352 0.061691 0.387894 O\n0.486648 0.561691 0.387894 O\n0.986648 0.938309 0.612106 O\n0.666176 0.307050 0.526719 O\n0.166176 0.192950 0.473281 O\n0.333824 0.692950 0.473281 O\n0.833824 0.807050 0.526719 O\n0.482730 0.201789 0.493388 O\n0.982730 0.298211 0.506612 O\n0.517270 0.798211 0.506612 O\n0.017270 0.701789 0.493388 O\n0.610341 0.247410 0.759231 O\n0.110341 0.252590 0.240769 O\n0.389659 0.752590 0.240769 O\n0.889659 0.747410 0.759231 O\n0.576898 0.050305 0.636118 O\n0.076898 0.449695 0.363882 O\n0.423102 0.949695 0.363882 O\n0.923102 0.550305 0.636118 O\n0.407168 0.225420 0.717218 O\n0.907168 0.274580 0.282782 O\n0.592832 0.774580 0.282782 O\n0.092832 0.725420 0.717218 O\n0.517781 0.459679 0.880937 O\n0.017781 0.040321 0.119063 O\n0.482219 0.540321 0.119063 O\n0.982219 0.959679 0.880937 O\n0.666123 0.323206 0.992683 O\n0.166123 0.176794 0.007317 O\n0.333877 0.676794 0.007317 O\n0.833877 0.823206 0.992683 O\n0.477720 0.199843 0.976341 O\n0.977720 0.300157 0.023659 O\n0.522280 0.800157 0.023659 O\n0.022280 0.699844 0.976341 O\n0.755754 0.945106 0.229361 O\n0.255754 0.554894 0.770639 O\n0.244246 0.054894 0.770639 O\n0.744246 0.445106 0.229361 O\n0.564752 0.031648 0.152601 O\n0.064752 0.468352 0.847399 O\n0.435248 0.968352 0.847399 O\n0.935248 0.531648 0.152601 O\n0.618490 0.025250 0.396837 O\n0.118490 0.474750 0.603163 O\n0.381510 0.974750 0.603163 O\n0.881510 0.525250 0.396837 O\n0.636035 0.817979 0.770751 O\n0.136035 0.682021 0.229249 O\n0.363965 0.182021 0.229249 O\n0.863965 0.317979 0.770751 O\n0.768024 0.024793 0.744387 O\n0.268024 0.475207 0.255613 O\n0.231976 0.975207 0.255613 O\n0.731976 0.524793 0.744387 O\n0.621670 0.036924 0.915366 O\n0.121670 0.463076 0.084634 O\n0.378330 0.963076 0.084634 O\n0.878330 0.536924 0.915366 O\n",
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{
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]
}