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{
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{
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"structure_string": "Fe4 C1\n1.0\n3.841547 0.000000 0.000000\n0.000000 3.841547 0.000000\n0.000000 0.000000 3.841547\nFe C\n4 1\ndirect\n0.269231 0.269231 0.269231 Fe\n0.730769 0.269231 0.730769 Fe\n0.730769 0.730769 0.269231 Fe\n0.269231 0.730769 0.730769 Fe\n0.000000 0.000000 0.000000 C\n",
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{
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{
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"structure_string": "Ca4 Sn4 O12\n1.0\n5.583110 0.000000 0.000000\n0.000000 5.756219 0.000000\n0.000000 0.000000 8.001356\nCa Sn O\n4 4 12\ndirect\n0.985673 0.053492 0.250000 Ca\n0.485673 0.446508 0.750000 Ca\n0.514327 0.553492 0.250000 Ca\n0.014327 0.946508 0.750000 Ca\n0.000000 0.500000 0.500000 Sn\n0.500000 0.000000 0.500000 Sn\n0.500000 0.000000 0.000000 Sn\n0.000000 0.500000 0.000000 Sn\n0.696888 0.299502 0.443834 O\n0.196888 0.200498 0.556166 O\n0.803112 0.799502 0.056166 O\n0.303112 0.700498 0.943834 O\n0.303112 0.700498 0.556166 O\n0.803112 0.799502 0.443834 O\n0.196888 0.200498 0.943834 O\n0.696888 0.299502 0.056166 O\n0.106908 0.457949 0.250000 O\n0.606908 0.042051 0.750000 O\n0.393092 0.957949 0.250000 O\n0.893092 0.542051 0.750000 O\n",
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{
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"structure_string": "Na4 C2 O5\n1.0\n2.675754 4.300090 0.000000\n-2.675754 4.300090 0.000000\n0.000000 1.118613 6.101774\nNa C O\n4 2 5\ndirect\n0.004491 0.004491 0.008809 Na\n0.334648 0.334648 0.735095 Na\n0.668028 0.668028 0.268464 Na\n0.998983 0.998983 0.503967 Na\n0.316558 0.316558 0.248399 C\n0.661554 0.661554 0.761207 C\n0.597617 0.183325 0.282385 O\n0.183325 0.597617 0.282385 O\n0.808109 0.387010 0.718061 O\n0.387010 0.808109 0.718061 O\n0.788675 0.788675 0.845167 O\n",
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{
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"structure_string": "Na2 Ca8 Si16 H32 O56 F2\n1.0\n8.952939 0.000000 0.000000\n0.000000 8.969073 0.000000\n0.000000 0.000000 16.009386\nNa Ca Si H O F\n2 8 16 32 56 2\ndirect\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.614629 0.254189 0.500000 Ca\n0.385371 0.745811 0.500000 Ca\n0.114629 0.245811 0.000000 Ca\n0.885371 0.754189 0.000000 Ca\n0.248289 0.382207 0.500000 Ca\n0.751711 0.617793 0.500000 Ca\n0.748289 0.117793 0.000000 Ca\n0.251711 0.882207 0.000000 Ca\n0.730925 0.416476 0.688717 Si\n0.269075 0.583524 0.688717 Si\n0.230925 0.083524 0.811283 Si\n0.769075 0.916476 0.811283 Si\n0.269075 0.583524 0.311283 Si\n0.730925 0.416476 0.311283 Si\n0.769075 0.916476 0.188717 Si\n0.230925 0.083524 0.188717 Si\n0.915627 0.229116 0.811405 Si\n0.084373 0.770884 0.811405 Si\n0.415627 0.270884 0.688595 Si\n0.584373 0.729116 0.688595 Si\n0.084373 0.770884 0.188595 Si\n0.915627 0.229116 0.188595 Si\n0.584373 0.729116 0.311405 Si\n0.415627 0.270884 0.311405 Si\n0.944881 0.313168 0.587827 H\n0.055119 0.686832 0.587827 H\n0.444881 0.186832 0.912173 H\n0.555119 0.813168 0.912173 H\n0.055119 0.686832 0.412173 H\n0.944881 0.313168 0.412173 H\n0.555119 0.813168 0.087827 H\n0.444881 0.186832 0.087827 H\n0.674513 0.946579 0.586672 H\n0.325487 0.053421 0.586672 H\n0.174513 0.553421 0.913328 H\n0.825487 0.446579 0.913328 H\n0.325487 0.053421 0.413328 H\n0.674513 0.946579 0.413328 H\n0.825487 0.446579 0.086672 H\n0.174513 0.553421 0.086672 H\n0.729626 0.072079 0.646958 H\n0.270374 0.927921 0.646958 H\n0.229626 0.427921 0.853042 H\n0.770374 0.572079 0.853042 H\n0.270374 0.927921 0.353042 H\n0.729626 0.072079 0.353042 H\n0.770374 0.572079 0.146958 H\n0.229626 0.427921 0.146958 H\n0.069179 0.247629 0.646092 H\n0.930821 0.752371 0.646092 H\n0.569179 0.252371 0.853908 H\n0.430821 0.747629 0.853908 H\n0.930821 0.752371 0.353908 H\n0.069179 0.247629 0.353908 H\n0.430821 0.747629 0.146092 H\n0.569179 0.252371 0.146092 H\n0.868443 0.367689 0.750321 O\n0.131557 0.632311 0.750321 O\n0.368443 0.132311 0.749679 O\n0.631557 0.867689 0.749679 O\n0.131557 0.632311 0.249679 O\n0.868443 0.367689 0.249679 O\n0.631557 0.867689 0.250321 O\n0.368443 0.132311 0.250321 O\n0.588465 0.309930 0.715570 O\n0.411535 0.690070 0.715570 O\n0.088465 0.190070 0.784430 O\n0.911535 0.809930 0.784430 O\n0.411535 0.690070 0.284430 O\n0.588465 0.309930 0.284430 O\n0.911535 0.809930 0.215570 O\n0.088465 0.190070 0.215570 O\n0.809208 0.087919 0.783054 O\n0.190792 0.912081 0.783054 O\n0.309208 0.412081 0.716946 O\n0.690792 0.587919 0.716946 O\n0.190792 0.912081 0.216946 O\n0.809208 0.087919 0.216946 O\n0.690792 0.587919 0.283054 O\n0.309208 0.412081 0.283054 O\n0.773084 0.401892 0.591205 O\n0.226916 0.598108 0.591205 O\n0.273084 0.098108 0.908795 O\n0.726916 0.901892 0.908795 O\n0.226916 0.598108 0.408795 O\n0.773084 0.401892 0.408795 O\n0.726916 0.901892 0.091205 O\n0.273084 0.098108 0.091205 O\n0.898886 0.269066 0.909029 O\n0.101114 0.730934 0.909029 O\n0.398886 0.230934 0.590971 O\n0.601114 0.769066 0.590971 O\n0.101114 0.730934 0.090971 O\n0.898886 0.269066 0.090971 O\n0.601114 0.769066 0.409029 O\n0.398886 0.230934 0.409029 O\n0.721577 0.048718 0.587418 O\n0.278423 0.951282 0.587418 O\n0.221577 0.451282 0.912582 O\n0.778423 0.548718 0.912582 O\n0.278423 0.951282 0.412582 O\n0.721577 0.048718 0.412582 O\n0.778423 0.548718 0.087418 O\n0.221577 0.451282 0.087418 O\n0.044130 0.260043 0.586960 O\n0.955870 0.739957 0.586960 O\n0.544130 0.239957 0.913040 O\n0.455870 0.760043 0.913040 O\n0.955870 0.739957 0.413040 O\n0.044130 0.260043 0.413040 O\n0.455870 0.760043 0.086960 O\n0.544130 0.239957 0.086960 O\n0.500000 0.500000 0.500000 F\n0.000000 0.000000 0.000000 F\n",
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