{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.227017 0.161505 ] [ 0.25 0.772983 0.838495 ] [ 0.75 0.727017 0.338495 ] [ 0.25 0.272983 0.661505 ] [ 0.75 0.120251 0.45756 ] [ 0.25 0.879749 0.54244 ] [ 0.75 0.620251 0.04244 ] [ 0.25 0.379749 0.95756 ] [ 0.75 0.083017 0.851939 ] [ 0.25 0.916983 0.148061 ] [ 0.75 0.583017 0.648061 ] [ 0.25 0.416983 0.351939 ] ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" "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" 3.7279024 "source-unit" "angstrom" } "b" { "source-value" 6.8651027 "source-unit" "angstrom" } "c" { "source-value" 9.15169895 "source-unit" "angstrom" } }