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{
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{
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{
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"structure_string": "Na4 Zr2 Si8 O22\n1.0\n7.487252 -0.021516 1.008284\n0.553374 7.466805 1.008284\n0.005744 0.005319 8.624547\nNa Zr Si O\n4 2 8 22\ndirect\n0.073526 0.926474 0.250000 Na\n0.926472 0.073527 0.750000 Na\n0.391318 0.608682 0.250000 Na\n0.608681 0.391318 0.750000 Na\n0.500000 -0.000000 -0.000000 Zr\n-0.000001 0.500000 0.500000 Zr\n0.804122 0.663526 0.139472 Si\n0.336473 0.195878 0.360527 Si\n0.733598 0.166400 0.429087 Si\n0.166400 0.733599 0.929087 Si\n0.266401 0.833600 0.570913 Si\n0.195877 0.336474 0.860527 Si\n0.833599 0.266401 0.070913 Si\n0.663525 0.804123 0.639473 Si\n0.755696 0.956361 0.504521 O\n0.245713 0.526090 0.917934 O\n0.473910 0.754286 0.582066 O\n0.043639 0.244303 0.995479 O\n0.204728 0.376194 0.351666 O\n0.840049 0.159951 0.250000 O\n0.623805 0.795272 0.148334 O\n0.795271 0.623806 0.648334 O\n0.376194 0.204728 0.851666 O\n0.108830 0.376343 0.697003 O\n0.623656 0.891170 0.802996 O\n0.891169 0.623657 0.302996 O\n0.244303 0.043639 0.495479 O\n0.376343 0.108830 0.197003 O\n0.715901 0.172887 0.965508 O\n0.172887 0.715903 0.465507 O\n0.284097 0.827113 0.034492 O\n0.754286 0.473910 0.082066 O\n0.526089 0.245714 0.417934 O\n0.159950 0.840050 0.750000 O\n0.827112 0.284098 0.534492 O\n0.956360 0.755697 0.004520 O\n",
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"formula_reduced": "RbH2OF",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.0260047564999997,
"spacegroup": 62
}
]
}