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{
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{
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"structure_string": "Li14 Ti21 O48\n1.0\n2.988345 5.174407 0.000000\n-2.988345 5.174407 0.000000\n0.000000 0.034264 29.236732\nLi Ti O\n14 21 48\ndirect\n0.666259 0.666259 0.165144 Li\n0.667202 0.667202 0.042518 Li\n0.333176 0.333176 0.332163 Li\n0.333559 0.333559 0.209042 Li\n0.000069 0.000069 0.187188 Li\n0.000133 0.000133 0.376149 Li\n0.999758 0.999758 0.498803 Li\n0.662984 0.662984 0.667702 Li\n0.668216 0.668216 0.543753 Li\n0.335687 0.335687 0.709229 Li\n0.332243 0.332243 0.521449 Li\n0.331265 0.331265 0.832213 Li\n0.002895 0.002895 0.873682 Li\n0.833499 0.833499 0.770632 Li\n0.161921 0.675178 0.106153 Ti\n0.675178 0.161921 0.106153 Ti\n0.335717 0.335717 0.021269 Ti\n0.162649 0.162649 0.105993 Ti\n0.836805 0.326395 0.268721 Ti\n0.326395 0.836805 0.268721 Ti\n0.496464 0.007055 0.439584 Ti\n0.836779 0.836779 0.268703 Ti\n0.007055 0.496464 0.439584 Ti\n0.666668 0.666668 0.354191 Ti\n0.171086 0.660962 0.601489 Ti\n0.496489 0.496489 0.439628 Ti\n0.660962 0.171086 0.601489 Ti\n0.168705 0.168705 0.603677 Ti\n0.833565 0.332378 0.770327 Ti\n0.332378 0.833565 0.770327 Ti\n0.987270 0.987270 0.689840 Ti\n0.496587 0.000739 0.938602 Ti\n0.000739 0.496587 0.938602 Ti\n0.678526 0.678526 0.850151 Ti\n0.499953 0.499953 0.936985 Ti\n0.481005 0.481005 0.064689 O\n0.039154 0.480701 0.064793 O\n0.333278 0.333278 0.140312 O\n0.480701 0.039154 0.064793 O\n0.154688 0.154688 0.235138 O\n0.844480 0.310529 0.140086 O\n0.310529 0.844480 0.140086 O\n0.999977 0.999977 0.306289 O\n0.691079 0.154662 0.235093 O\n0.999957 0.999957 0.070828 O\n0.154662 0.691079 0.235093 O\n0.844432 0.844432 0.140173 O\n0.814116 0.814116 0.397747 O\n0.519280 0.961485 0.310552 O\n0.961485 0.519280 0.310552 O\n0.666599 0.666599 0.473592 O\n0.666703 0.666703 0.234860 O\n0.371852 0.814052 0.397778 O\n0.519194 0.519194 0.310580 O\n0.814052 0.371851 0.397778 O\n0.488206 0.488206 0.568091 O\n0.178537 0.642424 0.473246 O\n0.642424 0.178537 0.473246 O\n0.333351 0.333351 0.402064 O\n0.025178 0.488749 0.568695 O\n0.334269 0.334269 0.639231 O\n0.488749 0.025178 0.568695 O\n0.178500 0.178500 0.473215 O\n0.150616 0.150616 0.730280 O\n0.853409 0.293125 0.642017 O\n0.293125 0.853409 0.642017 O\n0.011954 0.011954 0.805213 O\n0.703531 0.164306 0.728270 O\n0.999331 0.999331 0.567380 O\n0.164306 0.703531 0.728270 O\n0.850812 0.850812 0.643334 O\n0.503504 0.963857 0.813029 O\n0.816363 0.816363 0.898351 O\n0.963857 0.503504 0.813029 O\n0.666978 0.666978 0.973273 O\n0.654960 0.654960 0.736242 O\n0.368850 0.815497 0.899567 O\n0.815497 0.368850 0.899567 O\n0.516906 0.516906 0.811444 O\n0.187657 0.623069 0.976519 O\n0.623069 0.187657 0.976519 O\n0.332845 0.332845 0.901964 O\n0.187157 0.187157 0.976561 O\n",
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{
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},
{
"id": "mp-849670",
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"structure_string": "Na16 Ni2 O12\n1.0\n3.162730 -5.478009 0.000000\n3.162730 5.478009 0.000000\n0.000000 0.000000 12.819845\nNa Ni O\n16 2 12\ndirect\n0.000000 0.709589 0.772060 Na\n0.000000 0.617843 0.119842 Na\n0.000000 0.382157 0.619842 Na\n0.000000 0.290411 0.272060 Na\n0.333333 0.666667 0.415509 Na\n0.333333 0.666667 0.915509 Na\n0.290411 0.290411 0.772060 Na\n0.382157 0.382157 0.119842 Na\n0.617843 0.617843 0.619842 Na\n0.290411 0.000000 0.272060 Na\n0.709589 0.709589 0.272060 Na\n0.382157 0.000000 0.619842 Na\n0.666667 0.333333 0.915509 Na\n0.666667 0.333333 0.415509 Na\n0.617843 0.000000 0.119842 Na\n0.709589 0.000000 0.772060 Na\n0.000000 0.000000 0.995378 Ni\n0.000000 0.000000 0.495378 Ni\n0.000000 0.719661 0.950902 O\n0.000000 0.280339 0.450902 O\n0.333333 0.666667 0.220781 O\n0.000000 0.000000 0.148698 O\n0.000000 0.000000 0.648698 O\n0.333333 0.666667 0.720781 O\n0.280339 0.280339 0.950902 O\n0.280339 0.000000 0.450902 O\n0.719661 0.719661 0.450902 O\n0.666667 0.333333 0.720781 O\n0.666667 0.333333 0.220781 O\n0.719661 0.000000 0.950902 O\n",
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"elements": [
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"density_atomic": 0.06753417909538714,
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"formula_full": "Na16 Ni2 O12",
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{
"id": "mp-567407",
"created_at": "2022-09-04T14:40:23.516541Z",
"structure_string": "Dy20 C8 Br36\n1.0\n16.596801 0.000000 0.000000\n0.000000 10.177365 0.000000\n0.000000 7.092321 11.503354\nDy C Br\n20 8 36\ndirect\n0.539795 0.660744 0.965710 Dy\n0.442171 0.857305 0.688138 Dy\n0.185239 0.714032 0.444210 Dy\n0.555058 0.507706 0.737697 Dy\n0.838311 0.486858 0.720885 Dy\n0.314761 0.714032 0.944210 Dy\n0.960205 0.660744 0.465710 Dy\n0.944942 0.507706 0.237697 Dy\n0.661689 0.486858 0.220885 Dy\n0.057829 0.857305 0.188138 Dy\n0.444942 0.492294 0.262303 Dy\n0.460205 0.339256 0.034290 Dy\n0.039795 0.339256 0.534290 Dy\n0.942171 0.142695 0.811862 Dy\n0.814761 0.285968 0.555790 Dy\n0.557829 0.142695 0.311862 Dy\n0.161689 0.513142 0.279115 Dy\n0.338311 0.513142 0.779115 Dy\n0.685239 0.285968 0.055790 Dy\n0.055058 0.492294 0.762303 Dy\n0.030417 0.572962 0.330960 C\n0.469583 0.572962 0.830960 C\n0.969583 0.427038 0.669040 C\n0.530417 0.427038 0.169040 C\n0.912147 0.371566 0.619750 C\n0.412147 0.628434 0.880250 C\n0.587853 0.371566 0.119750 C\n0.087853 0.628434 0.380250 C\n0.067951 0.797991 0.558136 Br\n0.193865 0.598829 0.858075 Br\n0.178137 0.004543 0.247528 Br\n0.931857 0.589519 0.845195 Br\n0.568143 0.589519 0.345195 Br\n0.567951 0.202009 0.941864 Br\n0.327597 0.220296 0.967878 Br\n0.817733 0.197579 0.936960 Br\n0.198804 0.422144 0.670272 Br\n0.063153 0.036577 0.735188 Br\n0.057179 0.182023 0.958241 Br\n0.557179 0.817977 0.541759 Br\n0.317733 0.802421 0.563040 Br\n0.698804 0.577856 0.829728 Br\n0.821863 0.995457 0.752472 Br\n0.172403 0.220296 0.467878 Br\n0.678137 0.995457 0.252472 Br\n0.827597 0.779704 0.532122 Br\n0.932049 0.202009 0.441864 Br\n0.563153 0.963423 0.764812 Br\n0.068143 0.410481 0.154805 Br\n0.306135 0.598829 0.358075 Br\n0.301196 0.422144 0.170272 Br\n0.801196 0.577856 0.329728 Br\n0.432049 0.797991 0.058136 Br\n0.936847 0.963423 0.264812 Br\n0.436847 0.036577 0.235188 Br\n0.806135 0.401171 0.141925 Br\n0.321863 0.004543 0.747528 Br\n0.442821 0.182023 0.458241 Br\n0.182267 0.802421 0.063040 Br\n0.682267 0.197579 0.436960 Br\n0.693865 0.401171 0.641925 Br\n0.942821 0.817977 0.041759 Br\n0.672403 0.779704 0.032122 Br\n0.431857 0.410481 0.654805 Br\n",
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}
]
}