{ "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 0 0.18045 ] [ 0.666667 0.333333 0.513783 ] [ 0.333333 0.666667 0.847116 ] [ 0 0 0.81955 ] [ 0.666667 0.333333 0.152884 ] [ 0.333333 0.666667 0.486217 ] [ 0 0 0 ] [ 0.666667 0.333333 0.333333 ] [ 0.333333 0.666667 0.666667 ] [ 0.849306 0.72356 0.408935 ] [ 0.515972 0.056894 0.742268 ] [ 0.182639 0.390227 0.075601 ] [ 0.27644 0.125745 0.408935 ] [ 0.943106 0.459079 0.742268 ] [ 0.609773 0.792412 0.075601 ] [ 0.874255 0.150694 0.408935 ] [ 0.540921 0.484028 0.742268 ] [ 0.207588 0.817361 0.075601 ] [ 0.150694 0.27644 0.591065 ] [ 0.817361 0.609773 0.924399 ] [ 0.484028 0.943106 0.257732 ] [ 0.72356 0.874255 0.591065 ] [ 0.390227 0.207588 0.924399 ] [ 0.056894 0.540921 0.257732 ] [ 0.125745 0.849306 0.591065 ] [ 0.792412 0.182639 0.924399 ] [ 0.459079 0.515972 0.257732 ] [ 0.284642 0.035449 0.706629 ] [ 0.951309 0.368782 0.039962 ] [ 0.617976 0.702116 0.373295 ] [ 0.964551 0.249193 0.706629 ] [ 0.631218 0.582527 0.039962 ] [ 0.297884 0.91586 0.373295 ] [ 0.750807 0.715358 0.706629 ] [ 0.417473 0.048691 0.039962 ] [ 0.08414 0.382024 0.373295 ] [ 0.715358 0.964551 0.293371 ] [ 0.382024 0.297884 0.626705 ] [ 0.048691 0.631218 0.960038 ] [ 0.035449 0.750807 0.293371 ] [ 0.702116 0.08414 0.626705 ] [ 0.368782 0.417473 0.960038 ] [ 0.249193 0.284642 0.293371 ] [ 0.91586 0.617976 0.626705 ] [ 0.582527 0.951309 0.960038 ] [ 0.672777 0.605919 0.400918 ] [ 0.339443 0.939253 0.734252 ] [ 0.00611 0.272586 0.067585 ] [ 0.394081 0.066858 0.400918 ] [ 0.060747 0.400191 0.734252 ] [ 0.727414 0.733524 0.067585 ] [ 0.933142 0.327223 0.400918 ] [ 0.599809 0.660557 0.734252 ] [ 0.266476 0.99389 0.067585 ] [ 0.327223 0.394081 0.599082 ] [ 0.99389 0.727414 0.932415 ] [ 0.660557 0.060747 0.265748 ] [ 0.605919 0.933142 0.599082 ] [ 0.272586 0.266476 0.932415 ] [ 0.939253 0.599809 0.265748 ] [ 0.066858 0.672777 0.599082 ] [ 0.733524 0.00611 0.932415 ] [ 0.400191 0.339443 0.265748 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "Sn" "Sn" "Sn" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.54144382757 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }