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{
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{
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"structure_string": "In6 Ge12 N22\n1.0\n10.240056 0.000000 0.000000\n0.000000 10.240056 0.000000\n0.000000 0.000000 5.155062\nIn Ge N\n6 12 22\ndirect\n0.314303 0.814303 0.952269 In\n0.685697 0.185697 0.952269 In\n0.185697 0.314303 0.952269 In\n0.814303 0.685697 0.952269 In\n0.500000 0.500000 0.965543 In\n0.000000 0.000000 0.965543 In\n0.419618 0.291390 0.527787 Ge\n0.580382 0.708610 0.527787 Ge\n0.080382 0.791390 0.527787 Ge\n0.919618 0.208610 0.527787 Ge\n0.291390 0.580382 0.527787 Ge\n0.708610 0.419618 0.527787 Ge\n0.791390 0.919618 0.527787 Ge\n0.208610 0.080382 0.527787 Ge\n0.878940 0.378940 0.040710 Ge\n0.121060 0.621060 0.040710 Ge\n0.621060 0.878940 0.040710 Ge\n0.378940 0.121060 0.040710 Ge\n0.318488 0.421091 0.683467 N\n0.681512 0.578909 0.683467 N\n0.181512 0.921091 0.683467 N\n0.818488 0.078909 0.683467 N\n0.421091 0.681512 0.683467 N\n0.578909 0.318488 0.683467 N\n0.921091 0.818488 0.683467 N\n0.078909 0.181512 0.683467 N\n0.401403 0.295030 0.169047 N\n0.598597 0.704970 0.169047 N\n0.098597 0.795030 0.169047 N\n0.901403 0.204970 0.169047 N\n0.295030 0.598597 0.169047 N\n0.704970 0.401403 0.169047 N\n0.795030 0.901403 0.169047 N\n0.204970 0.098597 0.169047 N\n0.859505 0.359505 0.682178 N\n0.140495 0.640495 0.682178 N\n0.640495 0.859505 0.682178 N\n0.359505 0.140495 0.682178 N\n0.500000 0.000000 0.131483 N\n0.000000 0.500000 0.131483 N\n",
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{
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"structure_string": "P8 Pd8 S8\n1.0\n5.709150 0.000000 0.000000\n0.000000 5.738197 0.000000\n0.000000 0.000000 14.879931\nP Pd S\n8 8 8\ndirect\n0.868690 0.719477 0.574257 P\n0.868690 0.780523 0.425743 P\n0.631310 0.280523 0.074257 P\n0.368689 0.719477 0.925743 P\n0.368689 0.780523 0.074257 P\n0.131310 0.219477 0.574257 P\n0.131310 0.280523 0.425743 P\n0.631310 0.219477 0.925743 P\n0.750747 0.159717 0.398087 Pd\n0.750747 0.340283 0.601913 Pd\n0.749253 0.659717 0.101913 Pd\n0.749253 0.840283 0.898087 Pd\n0.249253 0.840283 0.601913 Pd\n0.249253 0.659717 0.398087 Pd\n0.250747 0.340283 0.898087 Pd\n0.250747 0.159717 0.101913 Pd\n0.362452 0.453793 0.640468 S\n0.137548 0.546207 0.140468 S\n0.137548 0.953793 0.859532 S\n0.637548 0.953793 0.640468 S\n0.862452 0.046207 0.140468 S\n0.862452 0.453793 0.859532 S\n0.362452 0.046207 0.359532 S\n0.637548 0.546207 0.359532 S\n",
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{
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{
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"structure_string": "Mg30 Cr1 Ni1 O32\n1.0\n8.520750 0.000000 0.000000\n0.000000 8.520750 0.000000\n0.000000 0.000000 8.483441\nMg Cr Ni O\n30 1 1 32\ndirect\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.250537 0.000000 0.248761 Mg\n0.250537 0.000000 0.751239 Mg\n0.749463 0.000000 0.248761 Mg\n0.749463 0.000000 0.751239 Mg\n0.249829 0.500000 0.249564 Mg\n0.249829 0.500000 0.750436 Mg\n0.750171 0.500000 0.249564 Mg\n0.750171 0.500000 0.750436 Mg\n0.000000 0.250537 0.248761 Mg\n0.000000 0.250537 0.751239 Mg\n0.500000 0.249829 0.249564 Mg\n0.500000 0.249829 0.750436 Mg\n0.000000 0.749463 0.248761 Mg\n0.000000 0.749463 0.751239 Mg\n0.500000 0.750171 0.249564 Mg\n0.500000 0.750171 0.750436 Mg\n0.249441 0.249441 0.000000 Mg\n0.250610 0.250610 0.500000 Mg\n0.750559 0.249441 0.000000 Mg\n0.749390 0.250610 0.500000 Mg\n0.249441 0.750559 0.000000 Mg\n0.250610 0.749390 0.500000 Mg\n0.750559 0.750559 0.000000 Mg\n0.749390 0.749390 0.500000 Mg\n0.000000 0.000000 0.500000 Cr\n0.000000 0.000000 0.000000 Ni\n0.000000 0.251365 0.000000 O\n0.000000 0.257610 0.500000 O\n0.500000 0.249998 0.000000 O\n0.500000 0.250781 0.500000 O\n0.000000 0.748635 0.000000 O\n0.000000 0.742390 0.500000 O\n0.500000 0.750002 0.000000 O\n0.500000 0.749219 0.500000 O\n0.249394 0.249394 0.249369 O\n0.249394 0.249394 0.750631 O\n0.750606 0.249394 0.249369 O\n0.750606 0.249394 0.750631 O\n0.249394 0.750606 0.249369 O\n0.249394 0.750606 0.750631 O\n0.750606 0.750606 0.249369 O\n0.750606 0.750606 0.750631 O\n0.000000 0.000000 0.249581 O\n0.000000 0.000000 0.750419 O\n0.500000 0.000000 0.248908 O\n0.500000 0.000000 0.751092 O\n0.000000 0.500000 0.248908 O\n0.000000 0.500000 0.751092 O\n0.500000 0.500000 0.249680 O\n0.500000 0.500000 0.750320 O\n0.251365 0.000000 0.000000 O\n0.257610 0.000000 0.500000 O\n0.748635 0.000000 0.000000 O\n0.742390 0.000000 0.500000 O\n0.249998 0.500000 0.000000 O\n0.250781 0.500000 0.500000 O\n0.750002 0.500000 0.000000 O\n0.749219 0.500000 0.500000 O\n",
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{
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