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{
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{
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{
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"structure_string": "Cr1 N1\n1.0\n0.000000 0.000000 -2.922567\n-1.461268 2.066558 -1.461283\n1.461268 2.066558 -1.461283\nCr N\n1 1\ndirect\n0.750001 -0.000000 -0.000000 Cr\n0.249999 0.500001 0.500001 N\n",
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{
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"structure_string": "Mn4 H4 O8\n1.0\n2.932468 0.000000 0.000000\n-0.000000 4.576425 0.000000\n0.000000 0.000000 10.523034\nMn H O\n4 4 8\ndirect\n0.250000 0.554298 0.639951 Mn\n0.250000 0.945701 0.139951 Mn\n0.750000 0.445701 0.360049 Mn\n0.750000 0.054298 0.860049 Mn\n0.250000 0.902139 0.397703 H\n0.250000 0.597860 0.897703 H\n0.750000 0.097860 0.602297 H\n0.750000 0.402139 0.102297 H\n0.250000 0.198976 0.308849 O\n0.250000 0.301024 0.808849 O\n0.750000 0.801023 0.691150 O\n0.750000 0.698975 0.191151 O\n0.250000 0.695829 0.433626 O\n0.250000 0.804170 0.933626 O\n0.750000 0.304170 0.566374 O\n0.750000 0.195829 0.066374 O\n",
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{
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{
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"structure_string": "Mg4 Cu4 P4 H24 O30\n1.0\n10.968015 2.536779 -1.954615\n-10.968015 2.536779 1.954615\n-0.070656 0.000000 10.481758\nMg Cu P H O\n4 4 4 24 30\ndirect\n0.962330 0.723827 0.965494 Mg\n0.723827 0.962330 0.534506 Mg\n0.037670 0.276173 0.034506 Mg\n0.276173 0.037671 0.465494 Mg\n0.102109 0.609449 0.867425 Cu\n0.609448 0.102109 0.632575 Cu\n0.897891 0.390552 0.132575 Cu\n0.390552 0.897891 0.367425 Cu\n0.827358 0.519335 0.273675 P\n0.519335 0.827358 0.226325 P\n0.172642 0.480666 0.726325 P\n0.480666 0.172643 0.773675 P\n0.536745 0.573787 0.641282 H\n0.767098 0.841510 0.232042 H\n0.841510 0.767098 0.267958 H\n0.232903 0.158490 0.767958 H\n0.206110 0.219773 0.432867 H\n0.219773 0.206110 0.067133 H\n0.793890 0.780228 0.567133 H\n0.780228 0.793890 0.932867 H\n0.463255 0.426214 0.358718 H\n0.426214 0.463256 0.141282 H\n0.573787 0.536745 0.858718 H\n0.158490 0.232903 0.732042 H\n0.836331 0.026395 0.830125 H\n0.973605 0.163670 0.330125 H\n0.163670 0.973605 0.169875 H\n0.786257 0.575677 0.587498 H\n0.575677 0.786257 0.912502 H\n0.213743 0.424324 0.412502 H\n0.424324 0.213743 0.087498 H\n0.130988 0.669521 0.573011 H\n0.026395 0.836331 0.669875 H\n0.669520 0.130988 0.926990 H\n0.869013 0.330480 0.426990 H\n0.330480 0.869013 0.073011 H\n0.843245 0.269880 0.976539 O\n0.156756 0.730120 0.023461 O\n0.269880 0.843245 0.523461 O\n0.730120 0.156756 0.476539 O\n0.223217 0.048733 0.078628 O\n0.253052 0.315889 0.088619 O\n0.776784 0.951268 0.921372 O\n0.951268 0.776784 0.578628 O\n0.746948 0.684112 0.911381 O\n0.684112 0.746948 0.588619 O\n0.275046 0.585842 0.141194 O\n0.315889 0.253052 0.411381 O\n0.048732 0.223217 0.421372 O\n0.585842 0.275046 0.358806 O\n-0.010555 0.216709 0.688091 O\n0.414159 0.724955 0.641194 O\n0.783292 0.010555 0.188091 O\n0.010555 0.783292 0.311910 O\n0.216708 -0.010555 0.811909 O\n0.563021 0.009160 0.211264 O\n0.009160 0.563021 0.288736 O\n0.436979 0.990840 0.788736 O\n0.990840 0.436980 0.711264 O\n0.470910 0.740701 0.371333 O\n0.740701 0.470910 0.128667 O\n0.529090 0.259300 0.628667 O\n0.259300 0.529091 0.871333 O\n0.306718 0.306718 0.750000 O\n0.724955 0.414159 0.858806 O\n0.693283 0.693283 0.250000 O\n",
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"formula_full": "Mg4 Cu4 P4 H24 O30",
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{
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"structure_string": "Fe4 H4 O8\n1.0\n-4.954550 4.954550 1.438394\n4.954550 -4.954550 1.438394\n4.954550 4.954550 -1.438394\nFe H O\n4 4 8\ndirect\n0.355592 0.845280 0.200826 Fe\n0.644456 0.154768 0.799174 Fe\n0.154718 0.355544 0.510312 Fe\n0.845230 0.644405 0.489687 Fe\n0.078657 0.859743 0.938159 H\n0.921584 0.140498 0.061841 H\n0.140257 0.078415 0.218914 H\n-0.140498 -0.078656 0.781086 H\n0.154538 0.796162 0.950611 O\n0.845548 0.203925 0.049389 O\n0.203838 0.154451 0.358377 O\n0.796072 0.845460 0.641623 O\n0.538352 0.838715 0.377104 O\n0.461613 0.161251 0.622896 O\n0.161283 0.538387 0.699638 O\n0.838748 0.461645 0.300362 O\n",
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{
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"structure_string": "H28 C32\n1.0\n7.802328 0.000000 -2.509177\n0.000000 7.919371 0.000000\n-0.007794 0.000000 8.574330\nH C\n28 32\ndirect\n0.535075 0.709925 0.011686 H\n0.083516 0.281634 0.310148 H\n0.916485 0.781634 0.689852 H\n0.196634 0.292676 0.522378 H\n0.803367 0.792676 0.477622 H\n0.183373 0.098875 0.412215 H\n0.816628 0.598875 0.587785 H\n0.832292 0.472500 0.352881 H\n0.368942 0.070212 0.673869 H\n0.631059 0.570212 0.326130 H\n0.335846 0.946120 0.831911 H\n0.664155 0.446120 0.168089 H\n0.838686 0.095658 0.208366 H\n0.161315 0.595658 0.791634 H\n0.167709 0.972500 0.647119 H\n0.456534 0.556811 0.779336 H\n0.543466 0.056811 0.220664 H\n0.464926 0.209925 0.988314 H\n0.623043 0.914963 0.831970 H\n0.376958 0.414963 0.168030 H\n0.067201 0.481938 0.109384 H\n0.226005 0.935713 0.044307 H\n0.932800 0.981938 0.890616 H\n0.773995 0.435713 0.955693 H\n0.446418 0.795863 0.273271 H\n0.553583 0.295863 0.726729 H\n0.528184 0.655267 0.532572 H\n0.471817 0.155268 0.467428 H\n0.811985 0.117302 0.323712 C\n0.356109 0.600167 0.671447 C\n0.643891 0.100167 0.328552 C\n0.188015 0.617302 0.676288 C\n0.604584 0.151642 0.466811 C\n0.054078 0.670700 0.540895 C\n0.273891 0.037650 0.735505 C\n0.088068 0.702790 0.389811 C\n0.911933 0.202790 0.610188 C\n0.958239 0.744946 0.234721 C\n0.041761 0.244946 0.765279 C\n0.726110 0.537650 0.264495 C\n0.395417 0.651642 0.533189 C\n0.945923 0.170700 0.459105 C\n0.735220 0.208757 0.605927 C\n0.215145 0.187484 0.813300 C\n0.689179 0.288092 0.736763 C\n0.310822 0.788092 0.263237 C\n0.809818 0.363393 0.863089 C\n0.190183 0.863393 0.136910 C\n0.988679 0.341572 0.883049 C\n0.011321 0.841572 0.116951 C\n0.111053 0.404746 0.024947 C\n0.888948 0.904746 0.975053 C\n0.283027 0.366572 0.057800 C\n0.716974 0.866572 0.942200 C\n0.332349 0.254072 0.954508 C\n0.667651 0.754072 0.045492 C\n0.887345 0.712799 0.573283 C\n0.784856 0.687484 0.186700 C\n0.264781 0.708757 0.394073 C\n0.112655 0.212799 0.426717 C\n",
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"structure_string": "Mg2 H4 C6 O8\n1.0\n4.479431 0.005390 -1.469866\n-0.898322 5.739765 -1.211303\n-0.073454 -0.226381 6.948934\nMg H C O\n2 4 6 8\ndirect\n0.539692 0.493803 0.180762 Mg\n0.039691 -0.006199 0.180760 Mg\n0.451501 0.183643 0.673687 H\n0.951501 0.683650 0.673689 H\n0.625599 0.459766 0.701974 H\n0.125606 0.959770 0.701976 H\n0.167782 0.777214 0.685223 C\n0.667781 0.277211 0.685221 C\n0.412525 0.784411 0.890462 C\n0.209176 0.707957 0.473518 C\n0.709176 0.207956 0.473515 C\n0.912523 0.284410 0.890461 C\n0.470815 0.208733 0.314174 O\n0.956364 0.168527 0.452124 O\n0.456367 0.668532 0.452127 O\n0.827787 0.274887 0.047460 O\n0.689960 0.804500 0.908964 O\n0.189963 0.304508 0.908963 O\n0.327788 0.774893 0.047464 O\n0.970817 0.708729 0.314175 O\n",
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{
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{
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"structure_string": "Li8 Sn1 O6\n1.0\n4.875259 0.007129 3.516728\n1.803302 4.529492 3.516728\n0.010495 0.007129 6.011274\nLi Sn O\n8 1 6\ndirect\n0.494831 0.100937 0.766227 Li\n0.766227 0.494831 0.100938 Li\n0.100936 0.766227 0.494832 Li\n0.505168 0.899063 0.233774 Li\n0.233772 0.505169 0.899063 Li\n0.899062 0.233773 0.505169 Li\n0.345572 0.345572 0.345572 Li\n0.654427 0.654428 0.654428 Li\n0.000000 0.000000 0.000000 Sn\n0.236585 0.905604 0.612609 O\n0.387391 0.763414 0.094396 O\n0.094395 0.387391 0.763415 O\n0.763414 0.094396 0.387391 O\n0.612608 0.236586 0.905605 O\n0.905604 0.612609 0.236586 O\n",
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}