{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.652889 0.5 0.605987 ] [ 0.347111 0.5 0.394013 ] [ 0.152889 0 0.605987 ] [ 0.847111 0 0.394013 ] [ 0.903686 0.5 0.201906 ] [ 0.096314 0.5 0.798094 ] [ 0.849774 0 0.736458 ] [ 0.150226 0 0.263542 ] [ 0.403686 0 0.201906 ] [ 0.596314 0 0.798094 ] [ 0.349774 0.5 0.736458 ] [ 0.650226 0.5 0.263542 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "As" "As" "As" "As" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 12.9695629613 "source-unit" "angstrom" } "b" { "source-value" 3.22655677815 "source-unit" "angstrom" } "c" { "source-value" 7.42636660172 "source-unit" "angstrom" } "beta" { "source-value" 143.378521503 "source-unit" "degree" } }