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{
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{
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{
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"structure_string": "Ca6 P8 H40 N4 O40\n1.0\n11.592013 0.000000 0.000000\n0.000000 7.724705 0.000000\n0.000000 7.385049 10.998066\nCa P H N O\n6 8 40 4 40\ndirect\n0.500000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.775952 0.309026 0.578099 Ca\n0.724048 0.309026 0.078099 Ca\n0.224048 0.690974 0.421901 Ca\n0.275952 0.690974 0.921901 Ca\n0.753093 0.257336 0.861559 P\n0.746907 0.257336 0.361559 P\n0.246907 0.742664 0.138441 P\n0.253093 0.742664 0.638441 P\n0.780867 0.858083 0.873324 P\n0.719133 0.858083 0.373324 P\n0.219133 0.141917 0.126676 P\n0.280867 0.141917 0.626676 P\n0.840471 0.818197 0.213814 H\n0.659529 0.818197 0.713814 H\n0.159529 0.181803 0.786186 H\n0.340471 0.181803 0.286186 H\n0.894670 0.601020 0.256085 H\n0.605330 0.601020 0.756085 H\n0.105330 0.398980 0.743915 H\n0.394670 0.398980 0.243915 H\n0.986617 0.276061 0.116071 H\n0.513383 0.276061 0.616071 H\n0.013383 0.723939 0.883929 H\n0.486617 0.723939 0.383929 H\n0.939133 0.495033 0.080843 H\n0.560867 0.495033 0.580843 H\n0.060867 0.504967 0.919157 H\n0.439133 0.504967 0.419157 H\n0.502056 0.242201 0.190406 H\n0.997944 0.242201 0.690406 H\n0.497944 0.757799 0.809594 H\n0.002056 0.757799 0.309594 H\n0.451710 0.299441 0.068325 H\n0.048290 0.299441 0.568325 H\n0.548290 0.700559 0.931675 H\n0.951710 0.700559 0.431675 H\n0.614318 0.848615 0.167413 H\n0.885682 0.848615 0.667413 H\n0.385682 0.151385 0.832587 H\n0.114318 0.151385 0.332587 H\n0.497843 0.752750 0.129575 H\n0.002157 0.752750 0.629575 H\n0.502157 0.247250 0.870425 H\n0.997843 0.247250 0.370425 H\n0.628293 0.631547 0.166479 H\n0.871707 0.631547 0.666479 H\n0.371707 0.368453 0.833521 H\n0.128293 0.368453 0.333521 H\n0.614456 0.863692 0.035888 H\n0.885544 0.863692 0.535888 H\n0.385544 0.136308 0.964112 H\n0.114456 0.136308 0.464112 H\n0.586934 0.776513 0.125138 N\n0.913066 0.776513 0.625138 N\n0.413066 0.223487 0.874862 N\n0.086934 0.223487 0.374862 N\n0.802756 0.382607 0.733437 O\n0.697244 0.382607 0.233437 O\n0.197244 0.617393 0.266563 O\n0.302756 0.617393 0.766563 O\n0.841445 0.210444 0.960893 O\n0.658555 0.210444 0.460893 O\n0.158555 0.789556 0.039107 O\n0.341445 0.789556 0.539107 O\n0.642057 0.339557 0.883340 O\n0.857943 0.339557 0.383340 O\n0.357943 0.660443 0.116660 O\n0.142057 0.660443 0.616660 O\n0.713457 0.030112 0.889207 O\n0.786543 0.030112 0.389207 O\n0.286543 0.969888 0.110793 O\n0.213457 0.969888 0.610793 O\n0.905727 0.838621 0.917545 O\n0.594273 0.838621 0.417545 O\n0.094273 0.161379 0.082455 O\n0.405727 0.161379 0.582455 O\n0.773865 0.940920 0.737140 O\n0.726135 0.940920 0.237140 O\n0.226135 0.059080 0.262860 O\n0.273865 0.059080 0.762860 O\n0.707913 0.663862 0.953421 O\n0.792087 0.663862 0.453421 O\n0.292087 0.336138 0.046579 O\n0.207913 0.336138 0.546579 O\n0.907339 0.752840 0.199411 O\n0.592661 0.752840 0.699411 O\n0.092661 0.247160 0.800589 O\n0.407339 0.247160 0.300589 O\n0.921781 0.346058 0.128869 O\n0.578219 0.346058 0.628869 O\n0.078219 0.653942 0.871131 O\n0.421781 0.653942 0.371131 O\n0.524569 0.255749 0.114303 O\n0.975431 0.255749 0.614303 O\n0.475431 0.744251 0.885697 O\n0.024569 0.744251 0.385697 O\n",
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{
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{
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]
}