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"structure_string": "K1 Cr1 P2 S7\n1.0\n6.227738 0.017499 -0.561267\n-0.643143 6.377786 -0.742095\n0.023156 0.021007 6.452869\nK Cr P S\n1 1 2 7\ndirect\n0.500001 0.898561 0.101440 K\n0.000001 0.499930 0.500071 Cr\n0.919776 0.951530 0.643037 P\n0.080226 0.356964 0.048472 P\n0.000001 0.021941 0.978059 S\n0.233168 0.474201 0.816306 S\n0.714140 0.687245 0.633179 S\n0.285861 0.366822 0.312757 S\n0.819107 0.491538 0.148020 S\n0.180894 0.851981 0.508463 S\n0.766833 0.183695 0.525800 S\n",
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"structure_string": "Al2 O1\n1.0\n3.521567 -0.000000 2.033178\n1.173855 3.320165 2.033178\n-0.000000 -0.000000 4.066355\nAl O\n2 1\ndirect\n0.750002 0.749999 0.750001 Al\n0.250001 0.250000 0.250000 Al\n0.000000 0.000000 0.000000 O\n",
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{
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"structure_string": "Fe2 P6 H12 O18\n1.0\n6.505436 3.219690 -1.817316\n-6.505436 3.219690 1.817316\n0.123674 0.000000 9.659753\nFe P H O\n2 6 12 18\ndirect\n0.089308 0.699125 0.643488 Fe\n0.300875 0.910692 0.143488 Fe\n0.794177 0.390033 0.066334 P\n0.609967 0.205823 0.566334 P\n0.942015 0.857718 0.321017 P\n0.142282 0.057985 0.821016 P\n0.321232 0.601717 0.442679 P\n0.398282 0.678768 0.942678 P\n0.664830 0.693554 0.544598 H\n0.702562 0.944281 0.278986 H\n0.055719 0.297438 0.778986 H\n0.399573 0.196001 0.362428 H\n0.803998 0.600427 0.862428 H\n0.306446 0.335170 0.044598 H\n0.215320 0.390947 0.391078 H\n0.353354 0.213177 0.762481 H\n0.786823 0.646645 0.262482 H\n0.723569 0.143664 0.515830 H\n0.856337 0.276430 0.015830 H\n0.609053 0.784680 0.891077 H\n0.513223 0.637086 0.570072 O\n0.362914 0.486777 0.070073 O\n0.437643 0.799736 0.321336 O\n0.200264 0.562357 0.821336 O\n0.859050 0.010836 0.253372 O\n0.989164 0.140950 0.753371 O\n0.182932 0.985609 0.276370 O\n0.014391 0.817068 0.776369 O\n0.524068 0.310850 0.432106 O\n0.937071 0.815044 0.483924 O\n0.689150 0.475932 0.932106 O\n0.604454 0.220922 0.164464 O\n0.779078 0.395546 0.664464 O\n0.405584 0.988438 0.640731 O\n0.011562 0.594416 0.140731 O\n0.136379 0.579214 0.502808 O\n0.184955 0.062929 0.983924 O\n0.420786 0.863620 0.002808 O\n",
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"structure_string": "Na1 As1 S1\n1.0\n3.443684 -0.000000 -0.000000\n-0.000000 3.443684 0.000000\n-0.000000 0.000000 7.447568\nNa As S\n1 1 1\ndirect\n0.000000 0.000000 0.661500 Na\n0.000000 0.000000 0.285159 As\n0.000000 0.000000 0.006717 S\n",
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"structure_string": "Li6 Ni1 Cl8\n1.0\n6.211452 -0.000000 3.586184\n2.070484 5.856213 3.586184\n-0.000000 -0.000000 7.172367\nLi Ni Cl\n6 1 8\ndirect\n0.500000 0.000000 -0.000000 Li\n-0.000000 0.500000 0.500000 Li\n-0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.000000 0.500000 Li\n0.500000 0.500000 -0.000000 Li\n0.000000 0.000000 0.000000 Ni\n0.250000 0.250000 0.250000 Cl\n0.749999 0.750000 0.750000 Cl\n0.761030 0.238969 0.238969 Cl\n0.238969 0.761030 0.761031 Cl\n0.238969 0.761030 0.238969 Cl\n0.761030 0.238969 0.761031 Cl\n0.238969 0.238969 0.761031 Cl\n0.761030 0.761030 0.238969 Cl\n",
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