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{
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{
"id": "jvasp-23698",
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{
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"structure_string": "Nd8 P8 S32\n1.0\n9.785104 0.000000 -4.798754\n-2.353377 9.497888 -4.798754\n0.014433 0.018446 12.405175\nNd P S\n8 8 32\ndirect\n0.125000 0.375000 0.250000 Nd\n0.874999 0.625000 0.750001 Nd\n0.624999 0.875000 0.250000 Nd\n0.375000 0.625000 0.750001 Nd\n0.625000 0.375000 0.250000 Nd\n0.125000 0.875000 0.250000 Nd\n0.874999 0.125000 0.750000 Nd\n0.375000 0.125000 0.750000 Nd\n0.287423 0.250000 0.500000 P\n0.787423 0.250000 0.500000 P\n0.749999 0.787423 0.000000 P\n0.250000 0.712577 0.000000 P\n0.712576 0.750000 0.500001 P\n0.212577 0.750000 0.500000 P\n0.250000 0.212577 0.000000 P\n0.750000 0.287423 0.000000 P\n0.906545 0.886688 0.995594 S\n0.165401 0.732667 0.826230 S\n0.093454 0.113312 0.004407 S\n0.391094 0.093454 0.504407 S\n0.113312 0.910954 0.504407 S\n0.108905 0.589047 0.495593 S\n0.406546 0.108906 0.995594 S\n0.906436 0.839173 0.673771 S\n0.386687 0.406547 0.495593 S\n0.910953 0.391095 0.004407 S\n0.589046 0.386688 0.995594 S\n0.767333 0.334599 0.673771 S\n0.839172 0.767334 0.173771 S\n0.334598 0.906437 0.173771 S\n0.608905 0.906547 0.495594 S\n0.886687 0.089047 0.495593 S\n0.410953 0.613313 0.004407 S\n0.593453 0.891095 0.004407 S\n0.891094 0.410953 0.504407 S\n0.613312 0.593454 0.504407 S\n0.339172 0.406437 0.173771 S\n0.089046 0.608906 0.995594 S\n0.267333 0.339173 0.673771 S\n0.665401 0.093563 0.826230 S\n0.160827 0.232667 0.826230 S\n0.232666 0.665402 0.326230 S\n0.093563 0.160828 0.326230 S\n0.660827 0.593563 0.826230 S\n0.732666 0.660828 0.326230 S\n0.593562 0.165402 0.326230 S\n0.406437 0.834599 0.673771 S\n0.834598 0.267334 0.173771 S\n",
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{
"id": "jvasp-22941",
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"updated_at": "2022-09-04T14:38:27.144185Z",
"structure_string": "Rb12 Sb4 Se16\n1.0\n9.867333 0.000000 0.000000\n-0.000000 10.243874 0.000000\n0.000000 0.000000 11.466230\nRb Sb Se\n12 4 16\ndirect\n0.937618 0.305150 0.955316 Rb\n0.437618 0.194850 0.955316 Rb\n0.562382 0.805150 0.455316 Rb\n0.062382 0.694850 0.044684 Rb\n0.139526 0.912312 0.750000 Rb\n0.639526 0.587687 0.750000 Rb\n0.360474 0.412312 0.250000 Rb\n0.860474 0.087687 0.250000 Rb\n0.062382 0.694850 0.455316 Rb\n0.437618 0.194850 0.544684 Rb\n0.562382 0.805150 0.044684 Rb\n0.937618 0.305150 0.544684 Rb\n0.723231 0.022035 0.750000 Sb\n0.223231 0.477964 0.750000 Sb\n0.776769 0.522035 0.250000 Sb\n0.276769 0.977964 0.250000 Sb\n0.819528 0.763854 0.250000 Se\n0.180472 0.236146 0.750000 Se\n0.004175 0.405910 0.250000 Se\n0.504175 0.094090 0.250000 Se\n0.495825 0.905910 0.750000 Se\n-0.004175 0.594090 0.750000 Se\n0.646785 0.466952 0.432837 Se\n0.146785 0.033048 0.067163 Se\n0.353214 0.533047 0.932837 Se\n0.353214 0.533047 0.567163 Se\n0.853214 0.966952 0.932837 Se\n0.146785 0.033048 0.432837 Se\n0.646785 0.466952 0.067163 Se\n0.319528 0.736146 0.250000 Se\n0.853214 0.966952 0.567163 Se\n0.680472 0.263854 0.750000 Se\n",
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{
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"updated_at": "2022-09-04T14:35:53.528169Z",
"structure_string": "Tc8 Br32\n1.0\n6.385551 0.000000 0.000000\n-0.000000 12.223724 0.000000\n0.000000 0.000000 14.864993\nTc Br\n8 32\ndirect\n0.405617 0.629871 0.178555 Tc\n0.594383 0.370129 0.821445 Tc\n0.905617 0.870128 0.821445 Tc\n0.594383 0.129871 0.321445 Tc\n0.405617 0.870128 0.678555 Tc\n0.094383 0.129871 0.178555 Tc\n0.905617 0.629871 0.321445 Tc\n0.094383 0.370129 0.678555 Tc\n0.442064 0.251815 0.431987 Br\n0.234234 0.988201 0.808902 Br\n0.557935 0.751815 0.068013 Br\n0.057936 0.748185 0.931987 Br\n0.746351 0.007297 0.431844 Br\n0.942064 0.251815 0.068013 Br\n0.734234 0.988201 0.691098 Br\n0.765766 0.488201 0.691098 Br\n0.576943 0.752589 0.808647 Br\n0.423057 0.247411 0.191353 Br\n0.765766 0.011798 0.191098 Br\n0.234234 0.511798 0.308902 Br\n0.253649 0.992702 0.568156 Br\n0.265766 0.011798 0.308902 Br\n0.253649 0.507297 0.068156 Br\n0.076943 0.752589 0.691353 Br\n0.442064 0.248185 0.931987 Br\n0.734234 0.511798 0.191098 Br\n0.746351 0.492702 0.931844 Br\n0.923057 0.252589 0.808647 Br\n0.942064 0.248185 0.568012 Br\n0.923057 0.247411 0.308647 Br\n0.246351 0.007297 0.068156 Br\n0.057936 0.751815 0.431987 Br\n0.246351 0.492702 0.568156 Br\n0.753649 0.507297 0.431844 Br\n0.076943 0.747410 0.191353 Br\n0.557935 0.748185 0.568012 Br\n0.753649 0.992702 0.931844 Br\n0.265766 0.488201 0.808902 Br\n0.576943 0.747410 0.308647 Br\n0.423057 0.252589 0.691353 Br\n",
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{
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"created_at": "2022-09-04T14:38:15.211725Z",
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"structure_string": "Re4 Te12 Br20\n1.0\n8.620811 0.000000 0.000000\n0.000000 10.896695 -3.032593\n0.000000 -0.001740 12.404740\nRe Te Br\n4 12 20\ndirect\n0.860433 0.779768 0.209091 Re\n0.083663 0.634146 0.278653 Re\n0.583662 0.365853 0.721347 Re\n0.360434 0.220232 0.790909 Re\n0.956146 0.564013 0.077210 Te\n0.766004 0.391166 0.547672 Te\n0.308498 0.062742 0.922213 Te\n0.468926 0.162067 0.576641 Te\n0.160121 0.811909 0.183236 Te\n0.660121 0.188091 0.816764 Te\n0.968926 0.837933 0.423359 Te\n0.266004 0.608834 0.452328 Te\n0.456146 0.435987 0.922790 Te\n0.277747 0.361671 0.652101 Te\n0.808498 0.937258 0.077787 Te\n0.777747 0.638328 0.347899 Te\n0.448376 0.159913 0.111276 Br\n0.241104 0.601000 0.896614 Br\n0.740610 0.988721 0.646416 Br\n0.741104 0.399000 0.103386 Br\n0.175541 0.030803 0.698357 Br\n0.366885 0.550422 0.218974 Br\n0.491451 0.878410 0.853971 Br\n0.111312 0.274402 0.920192 Br\n0.240610 0.011278 0.353585 Br\n0.569678 0.587872 0.684554 Br\n0.675541 0.969197 0.301643 Br\n0.447103 0.797914 0.509622 Br\n0.086589 0.665867 0.628784 Br\n0.586589 0.334132 0.371216 Br\n0.947103 0.202085 0.490378 Br\n0.611312 0.725597 0.079808 Br\n0.866885 0.449578 0.781026 Br\n0.991451 0.121590 0.146029 Br\n0.948376 0.840087 0.888724 Br\n0.069678 0.412128 0.315446 Br\n",
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{
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"structure_string": "Ca20 Al12 Ge18\n1.0\n10.525990 0.014833 1.573288\n1.357784 10.438060 1.573288\n0.016863 0.014833 10.642904\nCa Al Ge\n20 12 18\ndirect\n0.207286 0.500000 0.792714 Ca\n0.293708 0.706292 0.000000 Ca\n0.500000 0.207286 0.792714 Ca\n0.706292 0.293708 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.343646 0.051720 0.343646 Ca\n0.293708 -0.000000 0.706292 Ca\n0.000000 0.000000 0.000000 Ca\n0.500000 0.792714 0.207286 Ca\n0.792714 0.500000 0.207286 Ca\n0.948279 0.656353 0.656354 Ca\n0.656353 0.656353 0.948279 Ca\n-0.000000 0.706292 0.293708 Ca\n0.656353 0.948279 0.656354 Ca\n0.343646 0.343646 0.051721 Ca\n-0.000000 0.293708 0.706292 Ca\n0.207286 0.792714 0.500000 Ca\n0.706292 -0.000000 0.293708 Ca\n0.792714 0.207286 0.500000 Ca\n0.051720 0.343646 0.343646 Ca\n0.030678 0.316248 0.030679 Al\n0.030678 0.030678 0.316248 Al\n0.969321 0.969321 0.683752 Al\n0.500164 0.715110 0.715111 Al\n0.284889 0.499835 0.284889 Al\n0.499835 0.284889 0.284889 Al\n0.316248 0.030678 0.030679 Al\n0.683751 0.969321 0.969322 Al\n0.284889 0.284889 0.499836 Al\n0.715110 0.500164 0.715111 Al\n0.969321 0.683751 0.969322 Al\n0.715110 0.715110 0.500165 Al\n0.795818 0.118753 0.795818 Ge\n0.486190 0.813657 0.486190 Ge\n0.513810 0.186343 0.513810 Ge\n0.109227 0.109227 0.513171 Ge\n0.204182 0.204182 0.881246 Ge\n0.204182 0.881246 0.204182 Ge\n0.890772 0.486829 0.890773 Ge\n0.118753 0.795818 0.795818 Ge\n0.881246 0.204182 0.204182 Ge\n0.513171 0.109227 0.109227 Ge\n0.513810 0.513810 0.186343 Ge\n0.795818 0.795818 0.118754 Ge\n0.109227 0.513171 0.109227 Ge\n0.813657 0.486190 0.486190 Ge\n0.486190 0.486190 0.813657 Ge\n0.890772 0.890772 0.486829 Ge\n0.486829 0.890772 0.890773 Ge\n0.186343 0.513810 0.513810 Ge\n",
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{
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"structure_string": "Pr8 P8 S32\n1.0\n9.829383 -0.000000 -4.822141\n-2.365667 9.540460 -4.822141\n0.016312 0.020852 12.462358\nPr P S\n8 8 32\ndirect\n0.125000 0.375000 0.250000 Pr\n0.874999 0.625000 0.750000 Pr\n0.624999 0.875000 0.250000 Pr\n0.374999 0.625000 0.750000 Pr\n0.625000 0.375000 0.250000 Pr\n0.125000 0.875000 0.250000 Pr\n0.874999 0.125000 0.750000 Pr\n0.375000 0.125000 0.750000 Pr\n0.287292 0.250000 0.500000 P\n0.787292 0.250000 0.500000 P\n0.750000 0.787292 -0.000000 P\n0.250000 0.712708 -0.000000 P\n0.712707 0.750000 0.500000 P\n0.212707 0.750000 0.500000 P\n0.250000 0.212708 -0.000000 P\n0.750000 0.287292 -0.000000 P\n0.905740 0.886895 0.996046 S\n0.334351 0.906153 0.172643 S\n0.094259 0.113105 0.003954 S\n0.390848 0.094259 0.503954 S\n0.113105 0.909695 0.503954 S\n0.109151 0.590305 0.496046 S\n0.405741 0.109151 0.996046 S\n0.733509 0.661707 0.327356 S\n0.386894 0.405741 0.496046 S\n0.909695 0.390849 0.003954 S\n0.590304 0.386895 0.996046 S\n0.593847 0.165649 0.327356 S\n0.661707 0.593847 0.827356 S\n0.165648 0.733509 0.827356 S\n0.609151 0.905741 0.496046 S\n0.886894 0.090305 0.496046 S\n0.409695 0.613105 0.003954 S\n0.594258 0.890849 0.003954 S\n0.890848 0.409695 0.503954 S\n0.613105 0.594259 0.503954 S\n0.161707 0.233509 0.827356 S\n0.090304 0.609151 0.996046 S\n0.093847 0.161707 0.327357 S\n0.834351 0.266491 0.172643 S\n0.338292 0.406153 0.172643 S\n0.406152 0.834351 0.672643 S\n0.266490 0.338292 0.672643 S\n0.838292 0.766491 0.172643 S\n0.906152 0.838292 0.672643 S\n0.766490 0.334351 0.672643 S\n0.233509 0.665649 0.327356 S\n0.665649 0.093847 0.827356 S\n",
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{
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"created_at": "2022-09-04T14:38:09.976337Z",
"updated_at": "2022-09-04T14:38:09.976360Z",
"structure_string": "Rb6 As2 Se32\n1.0\n10.254503 0.000000 5.920440\n3.418168 9.668038 5.920440\n0.000000 0.000000 11.840880\nRb As Se\n6 2 32\ndirect\n-0.000000 -0.000000 0.500000 Rb\n0.000000 0.500000 -0.000000 Rb\n0.000000 0.000000 0.000000 Rb\n0.625000 0.625000 0.625000 Rb\n0.375000 0.375000 0.375000 Rb\n0.500000 -0.000000 0.000000 Rb\n0.125000 0.125000 0.125000 As\n0.875000 0.875000 0.875000 As\n0.468331 0.053611 0.303582 Se\n0.053611 0.468331 0.674476 Se\n0.674476 0.468331 0.303582 Se\n0.674476 0.053611 0.468331 Se\n0.468331 0.303582 0.674476 Se\n0.303582 0.468331 0.053611 Se\n0.468331 0.674476 0.053611 Se\n0.303582 0.053611 0.674476 Se\n0.053611 0.674476 0.303582 Se\n0.674476 0.303582 0.053611 Se\n0.696418 0.325524 0.531669 Se\n0.531669 0.946389 0.696418 Se\n0.946389 0.531669 0.325524 Se\n0.325524 0.531669 0.696418 Se\n0.303582 0.674476 0.468331 Se\n0.325524 0.946389 0.531669 Se\n0.531669 0.696418 0.325524 Se\n0.696418 0.531669 0.946389 Se\n0.053611 0.303582 0.468331 Se\n0.696418 0.946389 0.325524 Se\n0.946389 0.325524 0.696418 Se\n0.325524 0.696418 0.946389 Se\n0.793281 0.793281 0.793281 Se\n0.120157 0.793281 0.793281 Se\n0.793281 0.793281 0.120156 Se\n0.793281 0.120156 0.793281 Se\n0.206719 0.206719 0.206719 Se\n0.879844 0.206719 0.206719 Se\n0.206719 0.206719 0.879845 Se\n0.206719 0.879845 0.206719 Se\n0.946389 0.696418 0.531669 Se\n0.531669 0.325524 0.946389 Se\n",
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