{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnam" } "basis-atom-coordinates" { "source-value" [ [ 0.377694 0.160294 0.884353 ] [ 0.877694 0.339706 0.615647 ] [ 0.122306 0.660294 0.115647 ] [ 0.622306 0.839706 0.384353 ] [ 0.377694 0.160294 0.615647 ] [ 0.877694 0.339706 0.884353 ] [ 0.122306 0.660294 0.384353 ] [ 0.622306 0.839706 0.115647 ] [ 0.023749 0.821739 0.601992 ] [ 0.523749 0.678261 0.898008 ] [ 0.476251 0.321739 0.398008 ] [ 0.976251 0.178261 0.101992 ] [ 0.976251 0.178261 0.398008 ] [ 0.476251 0.321739 0.101992 ] [ 0.523749 0.678261 0.601992 ] [ 0.023749 0.821739 0.898008 ] [ 0.286952 0.997579 0.25 ] [ 0.786952 0.502421 0.25 ] [ 0.213048 0.497579 0.75 ] [ 0.713048 0.002421 0.75 ] [ 0.779922 0.532974 0.45546 ] [ 0.279922 0.967026 0.04454 ] [ 0.720078 0.032974 0.54454 ] [ 0.220078 0.467026 0.95546 ] [ 0.220078 0.467026 0.54454 ] [ 0.720078 0.032974 0.95546 ] [ 0.279922 0.967026 0.45546 ] [ 0.779922 0.532974 0.04454 ] [ 0.915034 0.887546 0.25 ] [ 0.415034 0.612454 0.25 ] [ 0.584966 0.387546 0.75 ] [ 0.084966 0.112454 0.75 ] [ 0.173402 0.365328 0.25 ] [ 0.673402 0.134672 0.25 ] [ 0.326598 0.865328 0.75 ] [ 0.826598 0.634672 0.75 ] ] } "species" { "source-value" [ "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.84324419 "source-unit" "angstrom" } "b" { "source-value" 7.92852453 "source-unit" "angstrom" } "c" { "source-value" 15.047205 "source-unit" "angstrom" } }