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{
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{
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{
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"structure_string": "Ba16 Ni12 N14\n1.0\n8.396349 4.801043 0.000000\n-8.396349 4.801043 0.000000\n0.000000 3.557670 11.559021\nBa Ni N\n16 12 14\ndirect\n0.917407 0.082593 0.750000 Ba\n0.082593 0.917407 0.250000 Ba\n0.247186 0.752814 0.750000 Ba\n0.752814 0.247186 0.250000 Ba\n0.883107 0.703634 0.598893 Ba\n0.296366 0.116893 0.901107 Ba\n0.116893 0.296366 0.401107 Ba\n0.703634 0.883107 0.098893 Ba\n0.231990 0.636452 0.103346 Ba\n0.363548 0.768010 0.396654 Ba\n0.768010 0.363548 0.896654 Ba\n0.636452 0.231990 0.603346 Ba\n0.617956 0.553512 0.357164 Ba\n0.446488 0.382044 0.142836 Ba\n0.382044 0.446488 0.642836 Ba\n0.553512 0.617956 0.857164 Ba\n0.217579 0.059409 0.614187 Ni\n0.940591 0.782421 0.885813 Ni\n0.871983 0.633996 0.101067 Ni\n0.366004 0.128017 0.398933 Ni\n0.128017 0.366004 0.898933 Ni\n0.633996 0.871983 0.601067 Ni\n0.457199 0.040849 0.132467 Ni\n0.959151 0.542801 0.367533 Ni\n0.542801 0.959151 0.867533 Ni\n0.040849 0.457199 0.632467 Ni\n0.059409 0.217579 0.114187 Ni\n0.782421 0.940591 0.385813 Ni\n0.000000 0.500000 0.500000 N\n0.500000 0.000000 0.000000 N\n0.593038 0.406962 0.750000 N\n0.406962 0.593038 0.250000 N\n0.084948 0.915052 0.750000 N\n0.915052 0.084948 0.250000 N\n0.637540 0.753654 0.499929 N\n0.246346 0.362460 0.000071 N\n0.362460 0.246346 0.500071 N\n0.753654 0.637540 0.999929 N\n0.592626 0.931102 0.728815 N\n0.068898 0.407374 0.771185 N\n0.407374 0.068898 0.271185 N\n0.931102 0.592626 0.228815 N\n",
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{
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{
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"structure_string": "Ba6 Ni2 N6\n1.0\n8.013913 -0.001934 0.000000\n-4.008659 6.958328 0.000000\n0.000000 0.000000 5.686474\nBa Ni N\n6 2 6\ndirect\n0.918290 0.635203 0.250000 Ba\n0.716435 0.079194 0.250000 Ba\n0.364209 0.283288 0.250000 Ba\n0.081710 0.364797 0.750000 Ba\n0.283565 0.920806 0.750000 Ba\n0.635791 0.716712 0.750000 Ba\n0.666335 0.333911 0.750000 Ni\n0.333665 0.666089 0.250000 Ni\n0.880407 0.566022 0.750000 N\n0.683023 0.119477 0.750000 N\n0.433561 0.315406 0.750000 N\n0.119593 0.433978 0.250000 N\n0.316977 0.880523 0.250000 N\n0.566439 0.684594 0.250000 N\n",
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{
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{
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{
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"structure_string": "Ba4 Nd14 Si22 N46\n1.0\n5.511590 -11.609607 0.000000\n5.511590 11.609607 0.000000\n0.000000 0.000000 9.767118\nBa Nd Si N\n4 14 22 46\ndirect\n0.500000 0.500000 0.791186 Ba\n0.833973 0.833973 0.000000 Ba\n0.166027 0.166027 0.000000 Ba\n0.500000 0.500000 0.208814 Ba\n0.879002 0.120998 0.294921 Nd\n0.000000 0.500000 0.265809 Nd\n0.500000 0.000000 0.265809 Nd\n0.663795 0.336205 0.000000 Nd\n0.180385 0.385947 0.500000 Nd\n0.879002 0.120998 0.705079 Nd\n0.385947 0.180385 0.500000 Nd\n0.120998 0.879002 0.705079 Nd\n0.614053 0.819615 0.500000 Nd\n0.120998 0.879002 0.294921 Nd\n0.336205 0.663795 0.000000 Nd\n0.500000 0.000000 0.734191 Nd\n0.819615 0.614053 0.500000 Nd\n0.000000 0.500000 0.734191 Nd\n0.673450 0.326550 0.338882 Si\n0.616115 0.846907 0.838772 Si\n0.673450 0.326550 0.661118 Si\n0.151978 0.151978 0.328516 Si\n0.785165 0.214835 0.500000 Si\n0.070315 0.666854 0.000000 Si\n0.214835 0.785165 0.500000 Si\n0.616115 0.846907 0.161228 Si\n0.326550 0.673450 0.338882 Si\n0.666854 0.070315 0.000000 Si\n0.929685 0.333146 0.000000 Si\n0.848022 0.848022 0.671484 Si\n0.846907 0.616115 0.838772 Si\n0.326550 0.673450 0.661118 Si\n0.848022 0.848022 0.328516 Si\n0.383885 0.153093 0.161228 Si\n0.333146 0.929685 0.000000 Si\n0.151978 0.151978 0.671484 Si\n0.846907 0.616115 0.161228 Si\n0.153093 0.383885 0.161228 Si\n0.153093 0.383885 0.838772 Si\n0.383885 0.153093 0.838772 Si\n0.760757 0.239243 0.000000 N\n0.362420 0.637580 0.500000 N\n0.234402 0.415168 0.000000 N\n0.836188 0.716180 0.734213 N\n0.584832 0.765598 0.000000 N\n0.221446 0.529158 0.753665 N\n0.529158 0.221446 0.246335 N\n0.778554 0.470842 0.246335 N\n0.692903 0.014762 0.145883 N\n0.716180 0.836188 0.265787 N\n0.985238 0.307097 0.854117 N\n0.000000 0.500000 0.000000 N\n0.778554 0.470842 0.753665 N\n0.307097 0.985238 0.145883 N\n0.470842 0.778554 0.753665 N\n0.708952 0.040857 0.500000 N\n0.163812 0.283820 0.734213 N\n0.014762 0.692903 0.145883 N\n0.283820 0.163812 0.265787 N\n0.253005 0.746995 0.649145 N\n0.014762 0.692903 0.854117 N\n0.836188 0.716180 0.265787 N\n0.692903 0.014762 0.854117 N\n0.163812 0.283820 0.265787 N\n0.529158 0.221446 0.753665 N\n0.637580 0.362420 0.500000 N\n0.470842 0.778554 0.246335 N\n0.817706 0.817706 0.500000 N\n0.182294 0.182294 0.500000 N\n0.307097 0.985238 0.854117 N\n0.291048 0.959143 0.500000 N\n0.283820 0.163812 0.734213 N\n0.221446 0.529158 0.246335 N\n0.746995 0.253005 0.350855 N\n0.239243 0.760757 0.000000 N\n0.746995 0.253005 0.649145 N\n0.985238 0.307097 0.145883 N\n0.000000 0.000000 0.274852 N\n0.959143 0.291048 0.500000 N\n0.500000 0.000000 0.000000 N\n0.040857 0.708952 0.500000 N\n0.000000 0.000000 0.725148 N\n0.716180 0.836188 0.734213 N\n0.253005 0.746995 0.350855 N\n0.415168 0.234402 0.000000 N\n0.765598 0.584832 0.000000 N\n",
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