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{
"id": "mp-755635",
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{
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"structure_string": "Si40 O80\n1.0\n8.739251 0.000000 0.000000\n0.000000 8.739251 0.000000\n0.000000 0.000000 27.938549\nSi O\n40 80\ndirect\n0.745668 0.565617 0.820255 Si\n0.434383 0.745668 0.820255 Si\n0.565617 0.254332 0.820255 Si\n0.745668 0.434383 0.179745 Si\n0.254332 0.565617 0.179745 Si\n0.254332 0.434383 0.820255 Si\n0.565617 0.745668 0.179745 Si\n0.434383 0.254332 0.179745 Si\n0.754332 0.934383 0.679745 Si\n0.065617 0.754332 0.679745 Si\n0.934383 0.245668 0.679745 Si\n0.754332 0.065617 0.320255 Si\n0.245668 0.934383 0.320255 Si\n0.245668 0.065617 0.679745 Si\n0.934383 0.754332 0.320255 Si\n0.065617 0.245668 0.320255 Si\n0.567657 0.253387 0.930553 Si\n0.746613 0.567657 0.930553 Si\n0.253387 0.432343 0.930553 Si\n0.567657 0.746613 0.069447 Si\n0.432343 0.253387 0.069447 Si\n0.432343 0.746613 0.930553 Si\n0.253387 0.567657 0.069447 Si\n0.746613 0.432343 0.069447 Si\n0.932343 0.246613 0.569447 Si\n0.753387 0.932343 0.569447 Si\n0.246613 0.067657 0.569447 Si\n0.932343 0.753387 0.430553 Si\n0.067657 0.246613 0.430553 Si\n0.067657 0.753387 0.569447 Si\n0.246613 0.932343 0.430553 Si\n0.753387 0.067657 0.430553 Si\n0.000000 0.500000 0.750000 Si\n0.500000 0.000000 0.750000 Si\n0.000000 0.500000 0.250000 Si\n0.500000 0.000000 0.250000 Si\n0.000000 0.500000 0.000000 Si\n0.500000 0.000000 0.000000 Si\n0.500000 0.000000 0.500000 Si\n0.000000 0.500000 0.500000 Si\n0.885824 0.600891 0.783778 O\n0.399109 0.885824 0.783778 O\n0.600891 0.114176 0.783778 O\n0.885824 0.399109 0.216222 O\n0.114176 0.600891 0.216222 O\n0.114176 0.399109 0.783778 O\n0.600891 0.885824 0.216222 O\n0.399109 0.114176 0.216222 O\n0.614176 0.899109 0.716222 O\n0.100891 0.614176 0.716222 O\n0.899109 0.385824 0.716222 O\n0.614176 0.100891 0.283778 O\n0.385824 0.899109 0.283778 O\n0.385824 0.100891 0.716222 O\n0.899109 0.614176 0.283778 O\n0.100891 0.385824 0.283778 O\n0.686670 0.391640 0.810660 O\n0.608360 0.686670 0.810660 O\n0.391640 0.313330 0.810660 O\n0.686670 0.608360 0.189340 O\n0.313330 0.391640 0.189340 O\n0.313330 0.608360 0.810660 O\n0.391640 0.686670 0.189340 O\n0.608360 0.313330 0.189340 O\n0.813330 0.108360 0.689340 O\n0.891640 0.813330 0.689340 O\n0.108360 0.186670 0.689340 O\n0.813330 0.891640 0.310660 O\n0.186670 0.108360 0.310660 O\n0.186670 0.891640 0.689340 O\n0.108360 0.813330 0.310660 O\n0.891640 0.186670 0.310660 O\n0.804569 0.583978 0.875319 O\n0.416022 0.804569 0.875319 O\n0.583978 0.195431 0.875319 O\n0.804569 0.416022 0.124681 O\n0.195431 0.583978 0.124681 O\n0.195431 0.416022 0.875319 O\n0.583978 0.804569 0.124681 O\n0.416022 0.195431 0.124681 O\n0.695431 0.916022 0.624681 O\n0.083978 0.695431 0.624681 O\n0.916022 0.304569 0.624681 O\n0.695431 0.083978 0.375319 O\n0.304569 0.916022 0.375319 O\n0.304569 0.083978 0.624681 O\n0.916022 0.695431 0.375319 O\n0.083978 0.304569 0.375319 O\n0.110053 0.605795 0.034056 O\n0.394205 0.110053 0.034056 O\n0.605795 0.889947 0.034056 O\n0.110053 0.394205 0.965944 O\n0.889947 0.605795 0.965944 O\n0.889947 0.394205 0.034056 O\n0.605795 0.110053 0.965944 O\n0.394205 0.889947 0.965944 O\n0.389947 0.894205 0.465944 O\n0.105795 0.389947 0.465944 O\n0.894205 0.610053 0.465944 O\n0.389947 0.105795 0.534056 O\n0.610053 0.894205 0.534056 O\n0.610053 0.105795 0.465944 O\n0.894205 0.389947 0.534056 O\n0.105795 0.610053 0.534056 O\n0.687493 0.392879 0.940530 O\n0.607121 0.687493 0.940530 O\n0.392879 0.312507 0.940530 O\n0.687493 0.607121 0.059470 O\n0.312507 0.392879 0.059470 O\n0.312507 0.607121 0.940530 O\n0.392879 0.687493 0.059470 O\n0.607121 0.312507 0.059470 O\n0.812507 0.107121 0.559470 O\n0.892879 0.812507 0.559470 O\n0.107121 0.187493 0.559470 O\n0.812507 0.892879 0.440530 O\n0.187493 0.107121 0.440530 O\n0.187493 0.892879 0.559470 O\n0.107121 0.812507 0.440530 O\n0.892879 0.187493 0.440530 O\n",
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{
"id": "mp-638469",
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"structure_string": "Ba2 C4 S4 O12 F12\n1.0\n2.490132 11.133265 0.000000\n-2.490132 11.133265 0.000000\n0.000000 2.547599 9.472815\nBa C S O F\n2 4 4 12 12\ndirect\n0.033511 0.966489 0.250000 Ba\n0.966489 0.033511 0.750000 Ba\n0.569687 0.771200 0.939534 C\n0.771200 0.569687 0.439534 C\n0.430313 0.228800 0.060466 C\n0.228800 0.430313 0.560466 C\n0.584026 0.590285 0.464750 S\n0.409715 0.415974 0.035250 S\n0.590285 0.584026 0.964750 S\n0.415974 0.409715 0.535250 S\n0.226081 0.597793 0.151047 O\n0.698337 0.193543 0.039390 O\n0.193543 0.698337 0.539390 O\n0.402207 0.773919 0.348953 O\n0.301663 0.806457 0.960610 O\n0.597793 0.226081 0.651047 O\n0.773919 0.402207 0.848953 O\n0.306438 0.554061 0.893886 O\n0.445939 0.693562 0.606114 O\n0.806457 0.301663 0.460610 O\n0.693562 0.445939 0.106114 O\n0.554061 0.306438 0.393886 O\n0.592005 0.820764 0.445070 F\n0.531160 0.086197 0.186927 F\n0.179236 0.407995 0.054930 F\n0.050471 0.600720 0.456990 F\n0.600720 0.050471 0.956990 F\n0.913803 0.468840 0.313073 F\n0.399280 0.949529 0.043010 F\n0.468840 0.913803 0.813073 F\n0.820764 0.592005 0.945070 F\n0.086197 0.531160 0.686927 F\n0.949529 0.399280 0.543010 F\n0.407995 0.179236 0.554930 F\n",
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{
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"structure_string": "Ba8 Cd8 Ge8 S32\n1.0\n0.000000 10.820119 11.121099\n6.474414 0.000000 11.121099\n6.474414 10.820119 0.000000\nBa Cd Ge S\n8 8 8 32\ndirect\n0.248623 0.748325 0.243426 Ba\n0.759627 0.243426 0.748325 Ba\n0.006574 0.490373 0.001377 Ba\n0.501675 0.001377 0.490373 Ba\n0.259417 0.740583 0.740583 Ba\n0.509417 0.990583 0.990583 Ba\n0.748599 0.251401 0.251401 Ba\n0.998599 0.501401 0.501401 Ba\n0.487459 0.264570 0.734299 Cd\n0.513672 0.734299 0.264570 Cd\n0.515701 0.736328 0.762541 Cd\n0.985430 0.762541 0.736328 Cd\n0.920269 0.828942 0.230647 Cd\n0.020143 0.230647 0.828942 Cd\n0.019353 0.229857 0.329731 Cd\n0.421058 0.329731 0.229857 Cd\n0.349501 0.400443 0.515011 Ge\n0.735045 0.515011 0.400443 Ge\n0.734989 0.514955 0.900499 Ge\n0.849557 0.900499 0.514955 Ge\n0.237348 0.013228 0.983080 Ge\n0.766344 0.983080 0.013228 Ge\n0.266920 0.483656 0.012652 Ge\n0.236772 0.012652 0.483656 Ge\n0.942867 0.967159 0.320404 S\n0.769569 0.320404 0.967159 S\n0.929596 0.480431 0.307133 S\n0.282841 0.307133 0.480431 S\n0.427724 0.983652 0.802417 S\n0.786207 0.802417 0.983652 S\n0.447583 0.463793 0.822276 S\n0.266348 0.822276 0.463793 S\n0.085429 0.665062 0.017063 S\n0.232445 0.017063 0.665062 S\n0.232937 0.017555 0.164571 S\n0.584938 0.164571 0.017555 S\n0.025233 0.724937 0.521920 S\n0.727910 0.521920 0.724937 S\n0.728080 0.522090 0.224767 S\n0.525063 0.224767 0.522090 S\n0.205025 0.542318 0.707730 S\n0.544927 0.707730 0.542318 S\n0.542270 0.705073 0.044975 S\n0.707682 0.044975 0.705073 S\n0.225257 0.522917 0.205842 S\n0.045984 0.205842 0.522917 S\n0.044158 0.204016 0.024743 S\n0.727083 0.024743 0.204016 S\n0.947733 0.961010 0.821845 S\n0.269412 0.821845 0.961010 S\n0.428155 0.980588 0.302267 S\n0.288990 0.302267 0.980588 S\n0.780970 0.807869 0.482900 S\n0.928261 0.482900 0.807869 S\n0.767100 0.321739 0.469030 S\n0.442131 0.469030 0.321739 S\n",
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{
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}