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{
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{
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{
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"structure_string": "Nd4 Ga24 Pd2\n1.0\n6.116604 0.000000 0.000000\n0.000000 6.116604 0.000000\n0.000000 0.000000 15.684534\nNd Ga Pd\n4 24 2\ndirect\n0.750000 0.250000 0.248227 Nd\n0.250000 0.750000 0.248227 Nd\n0.250000 0.750000 0.751773 Nd\n0.750000 0.250000 0.751773 Nd\n0.250000 0.250000 0.185695 Ga\n0.750000 0.750000 0.185695 Ga\n0.750000 0.750000 0.814305 Ga\n0.250000 0.250000 0.814305 Ga\n0.250000 0.250000 0.342249 Ga\n0.750000 0.750000 0.342249 Ga\n0.750000 0.750000 0.657751 Ga\n0.250000 0.250000 0.657751 Ga\n0.500496 0.000496 0.911939 Ga\n0.000496 0.999504 0.911939 Ga\n0.499504 0.500496 0.911939 Ga\n0.999504 0.499504 0.911939 Ga\n0.499504 0.999504 0.088061 Ga\n0.999504 0.000496 0.088061 Ga\n0.500496 0.499504 0.088061 Ga\n0.000496 0.500496 0.088061 Ga\n0.574811 0.074811 0.428821 Ga\n0.074811 0.925189 0.428821 Ga\n0.425189 0.574811 0.428821 Ga\n0.925189 0.425189 0.428821 Ga\n0.425189 0.925189 0.571179 Ga\n0.925189 0.074811 0.571179 Ga\n0.574811 0.425189 0.571179 Ga\n0.074811 0.574811 0.571179 Ga\n0.750000 0.250000 0.000000 Pd\n0.250000 0.750000 0.000000 Pd\n",
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{
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{
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{
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"structure_string": "Cu48 Ge6 Se36\n1.0\n6.360612 -11.016902 0.000000\n6.360612 11.016902 0.000000\n0.000000 0.000000 11.785479\nCu Ge Se\n48 6 36\ndirect\n0.838937 0.194667 0.055308 Cu\n0.161063 0.805333 0.555308 Cu\n0.129148 0.640748 0.930155 Cu\n0.805333 0.161063 0.555308 Cu\n0.870852 0.359252 0.430155 Cu\n0.838937 0.644270 0.555308 Cu\n0.355730 0.161063 0.055308 Cu\n0.194667 0.355730 0.555308 Cu\n0.459412 0.000000 0.769251 Cu\n0.805333 0.644270 0.055308 Cu\n0.511599 0.870852 0.930155 Cu\n0.808673 0.666218 0.836104 Cu\n0.359252 0.488401 0.930155 Cu\n0.142455 0.333782 0.836104 Cu\n0.488401 0.359252 0.930155 Cu\n0.540588 0.000000 0.269251 Cu\n0.000000 0.186968 0.458226 Cu\n0.359252 0.870852 0.430155 Cu\n0.857545 0.666218 0.336104 Cu\n0.186968 0.186968 0.958226 Cu\n0.355730 0.194667 0.555308 Cu\n0.333782 0.191327 0.336104 Cu\n0.000000 0.459412 0.769251 Cu\n0.644270 0.838937 0.555308 Cu\n0.640748 0.511599 0.430155 Cu\n0.333782 0.142455 0.836104 Cu\n0.870852 0.511599 0.930155 Cu\n0.640748 0.129148 0.930155 Cu\n0.808673 0.142455 0.336104 Cu\n0.857545 0.191327 0.836104 Cu\n0.191327 0.333782 0.336104 Cu\n0.511599 0.640748 0.430155 Cu\n0.644270 0.805333 0.055308 Cu\n0.813032 0.000000 0.958226 Cu\n0.459412 0.459412 0.269251 Cu\n0.000000 0.540588 0.269251 Cu\n0.186968 0.000000 0.458226 Cu\n0.000000 0.813032 0.958226 Cu\n0.142455 0.808673 0.336104 Cu\n0.488401 0.129148 0.430155 Cu\n0.129148 0.488401 0.430155 Cu\n0.540588 0.540588 0.769251 Cu\n0.194667 0.838937 0.055308 Cu\n0.666218 0.857545 0.336104 Cu\n0.191327 0.857545 0.836104 Cu\n0.813032 0.813032 0.458226 Cu\n0.161063 0.355730 0.055308 Cu\n0.666218 0.808673 0.836104 Cu\n0.666667 0.333333 0.673138 Ge\n0.666667 0.333333 0.173138 Ge\n0.333333 0.666667 0.173138 Ge\n0.000000 0.000000 0.700486 Ge\n0.333333 0.666667 0.673138 Ge\n0.000000 0.000000 0.200486 Ge\n0.651638 0.000000 0.078678 Se\n0.000000 0.639974 0.444993 Se\n0.348362 0.348362 0.078678 Se\n0.000000 0.182523 0.246696 Se\n0.000000 0.348362 0.578678 Se\n0.817477 0.817477 0.246696 Se\n0.333333 0.666667 0.971445 Se\n0.651638 0.651638 0.578678 Se\n0.843691 0.518562 0.723399 Se\n0.182523 0.000000 0.246696 Se\n0.666667 0.333333 0.471445 Se\n0.325129 0.481438 0.723399 Se\n0.817477 0.000000 0.746696 Se\n0.000000 0.651638 0.078678 Se\n0.674871 0.518562 0.223399 Se\n0.000000 0.000000 0.499226 Se\n0.843691 0.325129 0.223399 Se\n0.348362 0.000000 0.578678 Se\n0.333333 0.666667 0.471445 Se\n0.182523 0.182523 0.746696 Se\n0.518562 0.843691 0.723399 Se\n0.325129 0.843691 0.223399 Se\n0.156309 0.481438 0.223399 Se\n0.156309 0.674871 0.723399 Se\n0.666667 0.333333 0.971445 Se\n0.000000 0.817477 0.746696 Se\n0.000000 0.360026 0.944993 Se\n0.360026 0.000000 0.944993 Se\n0.639974 0.000000 0.444993 Se\n0.518562 0.674871 0.223399 Se\n0.639974 0.639974 0.944993 Se\n0.360026 0.360026 0.444993 Se\n0.674871 0.156309 0.723399 Se\n0.481438 0.325129 0.723399 Se\n0.000000 0.000000 0.999226 Se\n0.481438 0.156309 0.223399 Se\n",
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{
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"structure_string": "Cr4 Co2 O8\n1.0\n1.728687 4.889415 2.994152\n0.000001 0.000000 5.988303\n3.457326 -4.889430 0.000001\nCr Co O\n4 2 8\ndirect\n0.500000 0.499998 0.500000 Cr\n0.500003 0.499997 0.000001 Cr\n0.999997 0.000003 0.499995 Cr\n0.999999 0.500001 0.499999 Cr\n0.250000 0.125000 0.125001 Co\n0.750000 0.875000 0.875000 Co\n0.477115 0.738557 0.738559 O\n0.522884 0.715672 0.261443 O\n0.977115 0.261443 0.261443 O\n0.977116 0.261442 0.715673 O\n0.022885 0.738557 0.738558 O\n0.022885 0.738558 0.284328 O\n0.522884 0.261443 0.261443 O\n0.477116 0.284328 0.738558 O\n",
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