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{
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{
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{
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"structure_string": "Ca4 Si4 O12\n1.0\n-3.609067 3.609067 3.609067\n3.609067 -3.609067 3.609067\n3.609067 3.609067 -3.609067\nCa Si O\n4 4 12\ndirect\n0.000000 0.500000 0.500000 Ca\n0.500000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.000000 Ca\n0.000000 0.500000 0.000000 Si\n0.000000 0.000000 0.500000 Si\n0.500000 0.500000 0.500000 Si\n0.500000 0.000000 0.000000 Si\n0.760796 0.260410 0.021206 O\n0.239204 0.739590 0.978794 O\n0.260410 0.499613 0.239204 O\n0.760796 0.739590 0.500387 O\n0.239204 0.260410 0.499613 O\n0.499613 0.239204 0.260410 O\n0.739590 0.500387 0.760796 O\n0.739590 0.978794 0.239204 O\n0.260410 0.021206 0.760796 O\n0.021206 0.760796 0.260410 O\n0.978794 0.239204 0.739590 O\n0.500387 0.760796 0.739590 O\n",
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{
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{
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"structure_string": "Mo3 W1 Se4 S4\n1.0\n1.627086 -2.818196 0.000000\n1.627086 2.818196 0.000000\n0.000000 0.000000 36.873854\nMo W Se S\n3 1 4 4\ndirect\n0.333333 0.666667 0.093919 Mo\n0.333333 0.666667 0.469654 Mo\n0.666667 0.333333 0.281761 Mo\n0.666667 0.333333 0.657539 W\n0.333333 0.666667 0.327842 Se\n0.666667 0.333333 0.423621 Se\n0.666667 0.333333 0.515767 Se\n0.333333 0.666667 0.235719 Se\n0.333333 0.666667 0.699583 S\n0.666667 0.333333 0.052011 S\n0.666667 0.333333 0.135832 S\n0.333333 0.666667 0.615501 S\n",
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