{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcb" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.171263 0.896872 ] [ 0.5 0.828737 0.103128 ] [ 0 0 0.5 ] [ 0 0.5 0 ] [ 0 0.114061 0.23544 ] [ 0 0.885939 0.76456 ] [ 0 0.614061 0.26456 ] [ 0 0.385939 0.73544 ] [ 0.5 0.328737 0.396872 ] [ 0.5 0.671263 0.603128 ] [ 0.5 0.147527 0.64443 ] [ 0.5 0.852473 0.35557 ] [ 0.5 0.647527 0.85557 ] [ 0.5 0.352473 0.14443 ] [ 0 0.5 0.5 ] [ 0 0 0 ] [ 0 0.172988 0.891517 ] [ 0 0.827012 0.108483 ] [ 0 0.672988 0.608483 ] [ 0 0.327012 0.391517 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Au" "Au" "Au" "Au" "Au" "Au" "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" 5.79539014 "source-unit" "angstrom" } "b" { "source-value" 7.52879844 "source-unit" "angstrom" } "c" { "source-value" 14.58215476 "source-unit" "angstrom" } }