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{
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{
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{
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"structure_string": "Ca4 Al2 H20 Cl2 O16\n1.0\n10.475195 0.000000 -2.383305\n0.244125 3.163461 8.270363\n0.244125 -3.163461 8.270363\nCa Al H Cl O\n4 2 20 2 16\ndirect\n0.826287 0.495647 0.577940 Ca\n0.673713 0.922060 0.004353 Ca\n0.173713 0.504353 0.422060 Ca\n0.326287 0.077940 0.995647 Ca\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.542981 0.379840 0.239447 H\n0.957019 0.260553 0.120160 H\n0.457019 0.620160 0.760553 H\n0.042981 0.739447 0.879840 H\n0.819842 0.911292 0.483053 H\n0.680158 0.016947 0.588708 H\n0.180158 0.088708 0.516947 H\n0.319842 0.983053 0.411292 H\n0.372894 0.794736 0.937631 H\n0.127106 0.562369 0.705264 H\n0.627106 0.205264 0.062369 H\n0.872894 0.437631 0.294736 H\n0.905030 0.739266 0.707852 H\n0.594970 0.792148 0.760734 H\n0.094970 0.260734 0.292148 H\n0.405030 0.207852 0.239266 H\n0.985697 0.713445 0.936474 H\n0.514303 0.563526 0.786555 H\n0.014303 0.286555 0.063526 H\n0.485697 0.436474 0.213446 H\n0.750000 0.235109 0.264891 Cl\n0.250000 0.764891 0.735109 Cl\n0.640314 0.616379 0.368254 O\n0.859686 0.131746 0.883621 O\n0.359686 0.383621 0.631746 O\n0.140314 0.868254 0.116379 O\n0.430667 0.844787 0.997558 O\n0.069333 0.502442 0.655213 O\n0.569333 0.155213 0.002442 O\n0.930667 0.497558 0.344787 O\n0.386354 0.684561 0.233241 O\n0.113646 0.266759 0.815439 O\n0.613646 0.315439 0.766759 O\n0.886354 0.733241 0.184561 O\n0.855637 0.761519 0.589460 O\n0.644363 0.910540 0.738481 O\n0.144363 0.238481 0.410540 O\n0.355637 0.089460 0.261519 O\n",
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{
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