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"structure_string": "S6 N6 Cl6\n1.0\n0.000000 5.489216 0.040502\n11.129853 0.000000 0.000000\n0.000000 -0.942670 -5.957864\nS N Cl\n6 6 6\ndirect\n0.948344 0.878562 0.779590 S\n0.051656 0.378562 0.220410 S\n0.051656 0.121438 0.220410 S\n0.948344 0.621438 0.779590 S\n0.121633 0.750000 0.183449 S\n0.878367 0.250000 0.816551 S\n0.116180 0.250000 0.333022 N\n0.883820 0.750000 0.666978 N\n0.024585 0.630339 0.046672 N\n0.975416 0.130339 0.953327 N\n0.975416 0.369660 0.953327 N\n0.024585 0.869660 0.046672 N\n0.303025 0.925968 0.660497 Cl\n0.696976 0.425968 0.339502 Cl\n0.696976 0.074032 0.339502 Cl\n0.303025 0.574032 0.660497 Cl\n0.509586 0.750000 0.170070 Cl\n0.490415 0.250000 0.829930 Cl\n",
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{
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{
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