{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnmm" } "basis-atom-coordinates" { "source-value" [ [ 0.825135 0.25 0.75 ] [ 0.174865 0.75 0.25 ] [ 0.826177 0.25 0.470233 ] [ 0.826177 0.25 0.029767 ] [ 0.339247 0.508376 0.25 ] [ 0.339247 0.991624 0.25 ] [ 0.660753 0.008376 0.75 ] [ 0.660753 0.491624 0.75 ] [ 0.854768 0.75 0.25 ] [ 0.145232 0.25 0.75 ] [ 0.173823 0.75 0.970233 ] [ 0.173823 0.75 0.529767 ] ] } "species" { "source-value" [ "As" "As" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.78945513 "source-unit" "angstrom" } "b" { "source-value" 7.73685303 "source-unit" "angstrom" } "c" { "source-value" 8.06346415 "source-unit" "angstrom" } }