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0.497388 Ca\n0.521609 0.624703 0.994405 Ca\n0.483018 0.385697 0.508660 Ca\n0.486731 0.866715 0.996446 Ca\n0.484736 0.863505 0.514455 Ca\n0.967624 0.388835 0.000990 Ca\n0.974583 0.384060 0.503629 Ca\n0.973203 0.867975 0.004607 Ca\n0.969448 0.867225 0.503787 Ca\n0.227865 0.386368 0.736816 Ca\n0.227640 0.868690 0.246051 Ca\n0.231160 0.863607 0.750072 Ca\n0.734844 0.387182 0.246367 Ca\n0.725549 0.380982 0.746528 Ca\n0.732867 0.864701 0.247839 Ca\n0.725989 0.870411 0.744782 Ca\n0.277833 0.117322 0.737791 Ca\n0.274308 0.626357 0.254314 Ca\n0.273723 0.625031 0.757697 Ca\n0.771851 0.117765 0.250283 Ca\n0.766385 0.125227 0.753165 Ca\n0.769652 0.624579 0.253375 Ca\n0.769953 0.625588 0.754550 Ca\n0.994289 0.991407 0.248375 Ti\n0.988452 0.995553 0.757778 Ti\n0.251013 0.994134 0.994318 Ti\n0.232889 0.989056 0.514533 Ti\n0.255722 0.244179 0.962025 Ti\n0.245788 0.255685 0.503750 Ti\n0.985534 0.252692 0.266201 Ti\n0.988535 0.253725 0.751136 Ti\n0.000561 0.503669 0.249447 Mn\n0.000260 0.502764 0.749997 Mn\n0.508791 0.984788 0.241837 Mn\n0.502707 0.998073 0.748977 Mn\n0.501507 0.506355 0.250762 Mn\n0.500241 0.503203 0.748236 Mn\n0.249532 0.504257 0.001917 Mn\n0.250920 0.506131 0.501614 Mn\n0.747962 0.996587 0.997940 Mn\n0.742675 0.999063 0.499620 Mn\n0.749859 0.504246 0.000274 Mn\n0.750866 0.501871 0.500792 Mn\n0.249922 0.747914 0.003384 Mn\n0.251768 0.747702 0.499589 Mn\n0.750741 0.249790 0.001164 Mn\n0.746564 0.251890 0.502757 Mn\n0.749652 0.749094 0.000300 Mn\n0.750033 0.748053 0.500176 Mn\n0.000339 0.746815 0.250305 Mn\n0.000612 0.748294 0.750994 Mn\n0.519464 0.257876 0.264278 Mn\n0.504449 0.250949 0.744590 Mn\n0.499704 0.748123 0.251621 Mn\n0.500884 0.747587 0.751559 Mn\n0.103480 0.265245 0.596331 O\n0.106235 0.771975 0.105317 O\n0.107633 0.772800 0.604039 O\n0.594708 0.252195 0.105907 O\n0.599732 0.269018 0.595401 O\n0.607300 0.772889 0.109112 O\n0.608900 0.766143 0.608064 O\n0.397516 0.221444 0.373054 O\n0.405929 0.229548 0.896432 O\n0.396003 0.725375 0.397240 O\n0.396234 0.731049 0.897367 O\n0.892387 0.235943 0.398879 O\n0.900608 0.234331 0.900397 O\n0.897417 0.730810 0.396058 O\n0.897602 0.730285 0.896167 O\n0.144792 0.244251 0.344807 O\n0.150798 0.230614 0.836290 O\n0.147751 0.730552 0.351858 O\n0.148046 0.731235 0.852477 O\n0.655305 0.221038 0.355851 O\n0.649511 0.231310 0.851519 O\n0.646385 0.728405 0.354341 O\n0.645011 0.729467 0.855831 O\n0.353622 0.261846 0.643433 O\n0.357500 0.773419 0.145476 O\n0.356647 0.768978 0.644166 O\n0.863707 0.271990 0.140263 O\n0.852809 0.271102 0.648001 O\n0.857600 0.769830 0.144456 O\n0.857757 0.771726 0.645417 O\n0.361979 0.491073 0.140878 O\n0.355867 0.484055 0.642640 O\n0.356739 0.993264 0.157615 O\n0.357129 0.981338 0.642102 O\n0.858246 0.482725 0.144542 O\n0.857045 0.478148 0.645473 O\n0.853197 0.979230 0.142618 O\n0.855387 0.979823 0.643814 O\n0.138444 0.004957 0.362866 O\n0.146147 0.022856 0.860783 O\n0.146463 0.522086 0.353977 O\n0.147558 0.516417 0.851650 O\n0.623520 0.029863 0.356601 O\n0.648986 0.019289 0.848739 O\n0.646410 0.520510 0.355863 O\n0.643765 0.519479 0.855643 O\n0.394183 0.022131 0.895274 O\n0.393977 0.521945 0.395821 O\n0.392805 0.516950 0.892122 O\n0.881543 0.014833 0.386465 O\n0.894498 0.013385 0.898131 O\n0.898045 0.518578 0.396269 O\n0.897297 0.518915 0.895735 O\n0.102175 0.485410 0.103928 O\n0.105599 0.479988 0.605695 O\n0.107175 0.984463 0.107712 O\n0.103097 0.975420 0.611381 O\n0.614367 0.486530 0.112326 O\n0.608117 0.483533 0.604853 O\n0.603631 0.985173 0.093736 O\n0.598930 0.980119 0.599287 O\n0.007964 0.377652 0.277292 O\n0.012079 0.375911 0.786200 O\n0.005272 0.871532 0.283630 O\n0.010964 0.873345 0.789762 O\n0.498574 0.379191 0.280201 O\n0.506018 0.375957 0.771338 O\n0.507593 0.871744 0.300463 O\n0.507928 0.873760 0.784088 O\n0.495530 0.124526 0.716622 O\n0.492342 0.628797 0.209854 O\n0.490766 0.625368 0.713089 O\n0.997733 0.129187 0.218603 O\n0.987535 0.123742 0.725823 O\n0.987061 0.626108 0.210185 O\n0.987764 0.625270 0.709754 O\n0.224827 0.148357 0.053775 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0.359386 Fe\n0.878093 0.723405 0.425106 Fe\n0.895579 0.596994 0.607802 Fe\n0.378093 0.776595 0.074894 Fe\n0.779497 0.735832 0.140614 Fe\n0.406817 0.564890 0.559724 Fe\n0.386439 0.457663 0.743932 Fe\n0.795993 0.396883 0.796121 Fe\n0.204007 0.603117 0.203879 Fe\n0.613561 0.542337 0.256068 Fe\n0.593183 0.435110 0.440276 Fe\n0.220503 0.264168 0.859386 Fe\n0.621907 0.223405 0.925106 Fe\n0.104421 0.403006 0.392198 Fe\n0.121907 0.276595 0.574894 Fe\n0.720503 0.235832 0.640614 Fe\n0.285451 0.460110 0.042367 Fe\n0.885234 0.391081 0.083347 Fe\n0.917787 0.293843 0.282688 Fe\n0.295993 0.103117 0.703879 Fe\n0.886439 0.042337 0.756068 Fe\n0.417787 0.206157 0.217312 Fe\n0.385234 0.108919 0.416653 Fe\n0.785451 0.039890 0.457633 Fe\n0.604421 0.096994 0.107802 Fe\n0.093183 0.064890 0.059724 Fe\n0.130073 0.949982 0.828189 P\n0.644987 0.870567 0.999033 P\n0.924498 0.966896 0.605921 P\n0.357210 0.807783 0.669474 P\n0.857210 0.692217 0.830526 P\n0.555341 0.801236 0.439274 P\n0.431519 0.848993 0.217808 P\n0.424498 0.533104 0.894079 P\n0.144987 0.629433 0.500967 P\n0.630073 0.550018 0.671811 P\n0.931519 0.651007 0.282192 P\n0.055341 0.698764 0.060726 P\n0.944659 0.301236 0.939274 P\n0.068481 0.348993 0.717808 P\n0.369927 0.449982 0.328189 P\n0.855013 0.370567 0.499033 P\n0.575502 0.466896 0.105921 P\n0.568481 0.151007 0.782192 P\n0.444659 0.198764 0.560726 P\n0.142790 0.307783 0.169474 P\n0.642790 0.192217 0.330526 P\n0.075502 0.033104 0.394079 P\n0.355013 0.129433 0.000967 P\n0.869927 0.050018 0.171811 P\n0.533525 0.998041 0.825101 O\n0.497529 0.843722 0.982983 O\n0.074180 0.900339 0.765999 O\n0.243386 0.920681 0.646732 O\n0.443101 0.887831 0.715262 O\n0.200071 0.819597 0.874779 O\n0.815248 0.945640 0.556501 O\n0.788702 0.840059 0.794613 O\n0.739423 0.745227 0.983891 O\n0.957381 0.941129 0.429411 O\n0.608966 0.912122 0.483443 O\n0.135096 0.941042 0.344037 O\n0.937047 0.727277 0.889149 O\n0.969148 0.806607 0.638156 O\n0.429735 0.877987 0.403093 O\n0.985054 0.974498 0.139781 O\n0.469148 0.693393 0.861844 O\n0.437047 0.772723 0.610851 O\n0.294178 0.984224 0.042803 O\n0.759444 0.928831 0.191745 O\n0.319792 0.880003 0.264421 O\n0.239423 0.754773 0.516109 O\n0.668433 0.779556 0.391731 O\n0.288702 0.659941 0.705387 O\n0.315248 0.554360 0.943499 O\n0.700071 0.680403 0.625221 O\n0.943101 0.612169 0.784738 O\n0.653106 0.883402 0.072502 O\n0.743386 0.579319 0.853268 O\n0.882310 0.766178 0.325138 O\n0.574180 0.599661 0.734001 O\n0.553793 0.774288 0.256279 O\n0.020680 0.854553 0.021287 O\n0.997529 0.656278 0.517017 O\n0.520680 0.645447 0.478713 O\n0.053793 0.725712 0.243721 O\n0.382310 0.733822 0.174862 O\n0.542619 0.441129 0.929411 O\n0.891034 0.412122 0.983443 O\n0.153106 0.616598 0.427498 O\n0.364904 0.441042 0.844037 O\n0.168433 0.720444 0.108269 O\n0.033525 0.501959 0.674899 O\n0.070265 0.377987 0.903093 O\n0.514946 0.474498 0.639781 O\n0.819792 0.619997 0.235579 O\n0.205822 0.484224 0.542803 O\n0.740556 0.428831 0.691745 O\n0.259444 0.571169 0.308255 O\n0.794178 0.515776 0.457197 O\n0.180208 0.380003 0.764421 O\n0.485054 0.525502 0.360219 O\n0.929735 0.622013 0.096907 O\n0.966475 0.498041 0.325101 O\n0.831567 0.279556 0.891731 O\n0.635096 0.558958 0.155963 O\n0.846894 0.383402 0.572502 O\n0.108966 0.587878 0.016557 O\n0.457381 0.558871 0.070589 O\n0.617690 0.266178 0.825138 O\n0.946207 0.274288 0.756279 O\n0.479320 0.354553 0.521287 O\n0.002471 0.343722 0.482983 O\n0.979320 0.145447 0.978713 O\n0.446207 0.225712 0.743721 O\n0.425820 0.400339 0.265999 O\n0.117690 0.233822 0.674862 O\n0.256614 0.420681 0.146732 O\n0.346894 0.116598 0.927498 O\n0.056899 0.387831 0.215262 O\n0.299929 0.319597 0.374779 O\n0.684752 0.445640 0.056501 O\n0.711298 0.340059 0.294613 O\n0.331567 0.220444 0.608269 O\n0.760577 0.245227 0.483891 O\n0.680208 0.119997 0.735579 O\n0.240556 0.071169 0.808255 O\n0.705822 0.015776 0.957197 O\n0.562953 0.227277 0.389149 O\n0.530852 0.306607 0.138156 O\n0.014946 0.025502 0.860219 O\n0.570265 0.122013 0.596907 O\n0.030852 0.193393 0.361844 O\n0.062953 0.272723 0.110851 O\n0.864904 0.058958 0.655963 O\n0.391034 0.087878 0.516557 O\n0.042619 0.058871 0.570589 O\n0.260577 0.254773 0.016109 O\n0.211298 0.159941 0.205387 O\n0.184752 0.054360 0.443499 O\n0.799929 0.180403 0.125221 O\n0.556899 0.112169 0.284738 O\n0.756614 0.079319 0.353268 O\n0.925820 0.099661 0.234001 O\n0.502471 0.156278 0.017017 O\n0.466475 0.001959 0.174899 O\n","nsites":156,"nelements":3,"elements":["Fe","P","O"],"chemical_system":"Fe-O-P","density":3.8107236547787644,"density_atomic":0.08345507014252708,"volume":1869.2692934483011,"volume_molar":7.216027438135523,"formula_full":"Fe36 P24 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0.625067 0.498088 Ca\n0.521029 0.625414 0.994484 Ca\n0.480306 0.385072 0.509964 Ca\n0.486573 0.867928 0.996641 Ca\n0.481996 0.864545 0.515638 Ca\n0.965501 0.385642 0.000338 Ca\n0.976217 0.378916 0.504036 Ca\n0.974507 0.872438 0.004251 Ca\n0.972763 0.873145 0.505941 Ca\n0.224957 0.380641 0.723149 Ca\n0.224842 0.871232 0.246493 Ca\n0.226903 0.869625 0.744435 Ca\n0.738338 0.387265 0.247220 Ca\n0.727615 0.380162 0.747518 Ca\n0.735325 0.865301 0.248508 Ca\n0.728827 0.872358 0.745077 Ca\n0.270250 0.113772 0.730543 Ca\n0.272766 0.627538 0.255981 Ca\n0.271515 0.625947 0.755116 Ca\n0.774891 0.118135 0.253251 Ca\n0.773486 0.123502 0.755749 Ca\n0.772065 0.625220 0.254573 Ca\n0.771208 0.626102 0.754628 Ca\n0.996836 0.995963 0.753863 Mn\n0.000442 0.502472 0.249844 Mn\n0.000360 0.501420 0.749295 Mn\n0.508986 0.983965 0.239931 Mn\n0.500436 0.997891 0.748037 Mn\n0.501255 0.505998 0.250964 Mn\n0.499563 0.503198 0.748568 Mn\n0.241177 0.990535 0.506036 Mn\n0.249147 0.506845 0.000872 Mn\n0.249881 0.504713 0.500840 Mn\n0.751201 0.997197 0.996052 Mn\n0.744468 0.999279 0.501067 Mn\n0.749966 0.504945 0.000507 Mn\n0.751145 0.501512 0.500887 Mn\n0.250023 0.250439 0.496583 Mn\n0.249859 0.749840 0.003174 Mn\n0.250341 0.749125 0.499966 Mn\n0.752524 0.249210 0.000261 Mn\n0.748836 0.250788 0.503649 Mn\n0.749864 0.749639 0.999815 Mn\n0.750496 0.748801 0.500452 Mn\n0.992948 0.252732 0.746649 Mn\n0.000550 0.748631 0.249281 Mn\n0.000447 0.749496 0.750190 Mn\n0.521625 0.258063 0.264815 Mn\n0.503275 0.250622 0.741061 Mn\n0.499549 0.748684 0.252392 Mn\n0.500220 0.748223 0.751938 Mn\n0.994550 0.995193 0.248313 Cr\n0.251310 0.991909 0.995464 Cr\n0.258054 0.242386 0.959112 Cr\n0.985101 0.251327 0.264967 Cr\n0.100939 0.268286 0.603080 O\n0.106472 0.774454 0.104630 O\n0.105554 0.772781 0.602924 O\n0.592224 0.250751 0.106606 O\n0.596979 0.267548 0.593787 O\n0.607799 0.773235 0.108890 O\n0.607957 0.766238 0.607335 O\n0.397374 0.221085 0.370000 O\n0.404281 0.232463 0.899537 O\n0.396341 0.726137 0.397534 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