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"structure_string": "Ba2 H8 O6\n1.0\n0.000000 6.280276 0.196795\n4.181743 0.000000 0.000000\n0.000000 -2.633479 -6.637349\nBa H O\n2 8 6\ndirect\n0.863064 0.250000 0.712909 Ba\n0.136936 0.749999 0.287090 Ba\n0.617932 0.749999 0.890011 H\n0.382069 0.250000 0.109988 H\n0.247777 0.749999 0.867640 H\n0.752223 0.250000 0.132359 H\n0.673959 0.557039 0.325134 H\n0.673959 0.942960 0.325134 H\n0.326041 0.442961 0.674866 H\n0.326041 0.057039 0.674866 H\n0.617948 0.749999 0.380900 O\n0.382052 0.250000 0.619100 O\n0.783764 0.749999 0.919963 O\n0.216236 0.250000 0.080037 O\n0.197438 0.749999 0.718950 O\n0.802562 0.250000 0.281049 O\n",
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"created_at": "2022-09-04T14:36:54.415119Z",
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"structure_string": "Ba2 H8 O6\n1.0\n3.944513 0.000000 0.000000\n0.000000 6.322099 0.000000\n0.000000 0.000000 6.902918\nBa H O\n2 8 6\ndirect\n0.000000 0.646632 0.752986 Ba\n0.000000 0.353368 0.252986 Ba\n0.500000 0.302970 0.610984 H\n0.500000 0.697030 0.110984 H\n0.500000 0.984558 0.582358 H\n0.500000 0.015442 0.082358 H\n0.202197 0.124985 0.810262 H\n0.797802 0.875015 0.310262 H\n0.202197 0.875015 0.310262 H\n0.797802 0.124985 0.810262 H\n0.000000 0.205334 0.864805 O\n0.500000 0.564924 0.036596 O\n0.500000 0.971638 0.723649 O\n0.500000 0.028362 0.223648 O\n0.000000 0.794666 0.364805 O\n0.500000 0.435076 0.536596 O\n",
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"structure_string": "Ba2 H8 O6\n1.0\n4.163516 -0.017239 0.131729\n0.063455 6.250887 0.107903\n0.275189 2.429999 6.566758\nBa H O\n2 8 6\ndirect\n0.732343 0.137205 0.709716 Ba\n0.274021 0.852819 0.286509 Ba\n0.248273 0.378915 0.902179 H\n0.758102 0.611089 0.094081 H\n0.150479 0.767917 0.858999 H\n0.855863 0.222098 0.137228 H\n0.467182 0.316864 0.318353 H\n0.078015 0.321105 0.326672 H\n0.928313 0.668922 0.669556 H\n0.539150 0.673153 0.677887 H\n0.270234 0.377596 0.378573 O\n0.736087 0.612425 0.617668 O\n0.202827 0.216861 0.929237 O\n0.803509 0.773156 0.066993 O\n0.234132 0.806841 0.714492 O\n0.772193 0.183200 0.281730 O\n",
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{
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"structure_string": "Ba2 Hf1 Bi1\n1.0\n0.000000 4.238325 4.238325\n4.238325 0.000000 4.238325\n4.238325 4.238325 0.000000\nBa Hf Bi\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750001 0.750001 Ba\n0.500001 0.500001 0.500001 Hf\n0.000000 0.000000 0.000000 Bi\n",
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{
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"structure_string": "Ba2 Hf1 Cl1\n1.0\n0.000000 4.191979 4.191979\n4.191979 0.000000 4.191979\n4.191979 4.191979 -0.000000\nBa Hf Cl\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Cl\n",
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{
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