{ "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" [ [ 0.45742 0.881628 0.25 ] [ 0.95742 0.618372 0.75 ] [ 0.04258 0.381628 0.25 ] [ 0.54258 0.118372 0.75 ] [ 0.86867 0.027766 0.25 ] [ 0.36867 0.472234 0.75 ] [ 0.63133 0.527766 0.25 ] [ 0.13133 0.972234 0.75 ] [ 0.336953 0.174798 0.063133 ] [ 0.836953 0.325202 0.936867 ] [ 0.163047 0.674798 0.436867 ] [ 0.663047 0.825202 0.563133 ] [ 0.663047 0.825202 0.936867 ] [ 0.163047 0.674798 0.063133 ] [ 0.836953 0.325202 0.563133 ] [ 0.336953 0.174798 0.436867 ] ] } "species" { "source-value" [ "P" "P" "P" "P" "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" 5.26246298 "source-unit" "angstrom" } "b" { "source-value" 6.05427525 "source-unit" "angstrom" } "c" { "source-value" 7.55283157 "source-unit" "angstrom" } }