{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.07469 0.75 ] [ 0 0.92531 0.25 ] [ 0.5 0.57469 0.75 ] [ 0.5 0.42531 0.25 ] [ 0.5 0.865066 0.949432 ] [ 0.5 0.865066 0.550568 ] [ 0.5 0.134934 0.050568 ] [ 0.5 0.134934 0.449432 ] [ 0 0.365066 0.949432 ] [ 0 0.365066 0.550568 ] [ 0 0.634934 0.050568 ] [ 0 0.634934 0.449432 ] [ 0 0.788205 0.75 ] [ 0 0.211795 0.25 ] [ 0.5 0.288205 0.75 ] [ 0.5 0.711795 0.25 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "In" "In" "In" "In" "In" "In" "In" "In" "Au" "Au" "Au" "Au" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.61547642 "source-unit" "angstrom" } "b" { "source-value" 10.95792864 "source-unit" "angstrom" } "c" { "source-value" 7.7381989 "source-unit" "angstrom" } }