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"structure_string": "Li4 Ti2 Co4 O10\n1.0\n5.092901 -0.056962 0.039138\n1.875855 4.741536 0.014208\n2.596950 -0.015152 7.325934\nLi Ti Co O\n4 2 4 10\ndirect\n0.101687 0.504188 0.793503 Li\n0.202727 0.001122 0.598673 Li\n0.491726 0.487463 0.001499 Li\n0.798951 0.002317 0.405426 Li\n0.704969 0.493647 0.611543 Ti\n0.010515 -0.003360 -0.002241 Ti\n0.873913 0.512799 0.202866 Co\n0.600405 0.000209 0.791549 Co\n0.313102 0.505358 0.389495 Co\n0.400122 0.983358 0.216671 Co\n0.939443 0.736307 0.595826 O\n0.145570 0.755448 0.185804 O\n0.044641 0.264837 0.407890 O\n0.347564 0.745951 0.800880 O\n0.546619 0.746274 0.417043 O\n0.663732 0.237570 0.185868 O\n0.236917 0.237453 0.005959 O\n0.467545 0.267067 0.597898 O\n0.753948 0.770575 -0.004792 O\n0.855888 0.251435 0.798639 O\n",
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"structure_string": "V4 O4 F12\n1.0\n4.494869 0.079334 0.000000\n-0.161672 11.605725 0.000000\n0.000000 0.000000 4.675375\nV O F\n4 4 12\ndirect\n0.020984 0.677615 0.707464 V\n0.479017 0.822386 0.207464 V\n0.520983 0.177614 0.792537 V\n0.979017 0.322385 0.292537 V\n0.234357 0.804789 0.949636 O\n0.265644 0.695211 0.449636 O\n0.734356 0.304789 0.550365 O\n0.765644 0.195211 0.050365 O\n0.773662 0.574517 0.579522 F\n0.768309 0.797510 0.579583 F\n0.731692 0.702490 0.079582 F\n0.726339 0.925483 0.079521 F\n0.273662 0.074517 0.920480 F\n0.209294 0.582871 0.937024 F\n0.231692 0.202490 0.420418 F\n0.226338 0.425483 0.420479 F\n0.790707 0.417129 0.062977 F\n0.290707 0.917129 0.437023 F\n0.268309 0.297510 0.920419 F\n0.709294 0.082871 0.562978 F\n",
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"formula_full": "Si2 P4 O14",
"formula_reduced": "SiP2O7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 2.87181341,
"spacegroup": 176
}
]
}