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{
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{
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{
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{
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{
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"structure_string": "Mo30 Se38\n1.0\n4.814659 -8.339234 0.000000\n4.814659 8.339234 0.000000\n0.000000 0.000000 19.851996\nMo Se\n30 38\ndirect\n0.687432 0.504471 0.133435 Mo\n0.165370 0.512081 0.750000 Mo\n0.021011 0.171050 0.559652 Mo\n0.828950 0.849961 0.559652 Mo\n0.687432 0.504471 0.366565 Mo\n0.817039 0.312568 0.366565 Mo\n0.495529 0.182961 0.133435 Mo\n0.312568 0.495529 0.633435 Mo\n0.512081 0.346711 0.250000 Mo\n0.150039 0.978989 0.559652 Mo\n0.487919 0.653289 0.750000 Mo\n0.653289 0.165370 0.250000 Mo\n0.828950 0.849961 0.940348 Mo\n0.495529 0.182961 0.366565 Mo\n0.849961 0.021011 0.440348 Mo\n0.182961 0.687432 0.866565 Mo\n0.849961 0.021011 0.059652 Mo\n0.182961 0.687432 0.633435 Mo\n0.978989 0.828950 0.440348 Mo\n0.504471 0.817039 0.866565 Mo\n0.171050 0.150039 0.440348 Mo\n0.150039 0.978989 0.940348 Mo\n0.312568 0.495529 0.866565 Mo\n0.021011 0.171050 0.940348 Mo\n0.817039 0.312568 0.133435 Mo\n0.978989 0.828950 0.059652 Mo\n0.504471 0.817039 0.633435 Mo\n0.346711 0.834630 0.750000 Mo\n0.171050 0.150039 0.059652 Mo\n0.834630 0.487919 0.250000 Mo\n0.996929 0.624401 0.356109 Se\n0.035389 0.327070 0.048059 Se\n0.372528 0.996929 0.643891 Se\n0.624401 0.627472 0.856109 Se\n0.000000 0.000000 0.338813 Se\n0.342072 0.038120 0.250000 Se\n0.333333 0.666667 0.531883 Se\n0.000000 0.000000 0.838813 Se\n0.327070 0.291681 0.548059 Se\n0.303952 0.342072 0.750000 Se\n0.666667 0.333333 0.468117 Se\n0.291681 0.964611 0.451941 Se\n0.964611 0.672930 0.548059 Se\n0.672930 0.708319 0.048059 Se\n0.038120 0.696048 0.750000 Se\n0.708319 0.035389 0.548059 Se\n0.672930 0.708319 0.451941 Se\n0.627472 0.003071 0.143891 Se\n0.003071 0.375599 0.643891 Se\n0.003071 0.375599 0.856109 Se\n0.961880 0.303952 0.250000 Se\n0.708319 0.035389 0.951941 Se\n0.035389 0.327070 0.451941 Se\n0.666667 0.333333 0.031883 Se\n0.627472 0.003071 0.356109 Se\n0.372528 0.996929 0.856109 Se\n0.996929 0.624401 0.143891 Se\n0.964611 0.672930 0.951941 Se\n0.375599 0.372528 0.356109 Se\n0.657928 0.961880 0.750000 Se\n0.327070 0.291681 0.951941 Se\n0.000000 0.000000 0.661187 Se\n0.333333 0.666667 0.968117 Se\n0.291681 0.964611 0.048059 Se\n0.696048 0.657928 0.250000 Se\n0.624401 0.627472 0.643891 Se\n0.000000 0.000000 0.161187 Se\n0.375599 0.372528 0.143891 Se\n",
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{
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{
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