{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt" "instance-id" 1 "space-group" { "source-value" "R-3" } "basis-atom-coordinates" { "source-value" [ [ 0.047449 0.258803 0.650331 ] [ 0.714116 0.592137 0.983664 ] [ 0.380782 0.92547 0.316997 ] [ 0.211354 0.952551 0.650331 ] [ 0.878021 0.285884 0.983664 ] [ 0.544688 0.619218 0.316997 ] [ 0.741197 0.788646 0.650331 ] [ 0.407863 0.121979 0.983664 ] [ 0.07453 0.455312 0.316997 ] [ 0.952551 0.741197 0.349669 ] [ 0.619218 0.07453 0.683003 ] [ 0.285884 0.407863 0.016336 ] [ 0.788646 0.047449 0.349669 ] [ 0.455312 0.380782 0.683003 ] [ 0.121979 0.714116 0.016336 ] [ 0.258803 0.211354 0.349669 ] [ 0.92547 0.544688 0.683003 ] [ 0.592137 0.878021 0.016336 ] [ 0 0 0 ] [ 0.666667 0.333333 0.333333 ] [ 0.333333 0.666667 0.666667 ] [ 0.037819 0.218725 0.398132 ] [ 0.704486 0.552059 0.731465 ] [ 0.371152 0.885392 0.064798 ] [ 0.180907 0.962181 0.398132 ] [ 0.847573 0.295514 0.731465 ] [ 0.51424 0.628848 0.064798 ] [ 0.781275 0.819093 0.398132 ] [ 0.447941 0.152427 0.731465 ] [ 0.114608 0.48576 0.064798 ] [ 0.962181 0.781275 0.601868 ] [ 0.628848 0.114608 0.935202 ] [ 0.295514 0.447941 0.268535 ] [ 0.819093 0.037819 0.601868 ] [ 0.48576 0.371152 0.935202 ] [ 0.152427 0.704486 0.268535 ] [ 0.218725 0.180907 0.601868 ] [ 0.885392 0.51424 0.935202 ] [ 0.552059 0.847573 0.268535 ] [ 0.621343 0.115459 0.441663 ] [ 0.28801 0.448792 0.774996 ] [ 0.954677 0.782126 0.10833 ] [ 0.115459 0.494116 0.558337 ] [ 0.782126 0.827449 0.89167 ] [ 0.448792 0.160782 0.225004 ] [ 0.505884 0.621343 0.558337 ] [ 0.172551 0.954677 0.89167 ] [ 0.839218 0.28801 0.225004 ] [ 0.378657 0.884541 0.558337 ] [ 0.045323 0.217874 0.89167 ] [ 0.71199 0.551208 0.225004 ] [ 0.884541 0.505884 0.441663 ] [ 0.551208 0.839218 0.774996 ] [ 0.217874 0.172551 0.10833 ] [ 0.494116 0.378657 0.441663 ] [ 0.160782 0.71199 0.774996 ] [ 0.827449 0.045323 0.10833 ] ] } "species" { "source-value" [ "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.1409506917 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }