{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.530287 0.104052 0.75 ] [ 0.030287 0.395948 0.25 ] [ 0.969713 0.604052 0.75 ] [ 0.469713 0.895948 0.25 ] [ 0.678094 0.82035 0.948237 ] [ 0.178094 0.67965 0.051763 ] [ 0.821906 0.32035 0.551763 ] [ 0.321906 0.17965 0.448237 ] [ 0.902573 0.006731 0.25 ] [ 0.402573 0.493269 0.75 ] [ 0.597427 0.506731 0.25 ] [ 0.097427 0.993269 0.75 ] [ 0.678094 0.82035 0.551763 ] [ 0.178094 0.67965 0.448237 ] [ 0.821906 0.32035 0.948237 ] [ 0.321906 0.17965 0.051763 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.34204347 "source-unit" "angstrom" } "b" { "source-value" 5.85991311 "source-unit" "angstrom" } "c" { "source-value" 7.63112393 "source-unit" "angstrom" } }