{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccmm" } "basis-atom-coordinates" { "source-value" [ [ 0.227057 0.10783 0.75 ] [ 0.772943 0.89217 0.25 ] [ 0.227057 0.89217 0.75 ] [ 0.772943 0.10783 0.25 ] [ 0.727057 0.60783 0.75 ] [ 0.272943 0.39217 0.25 ] [ 0.727057 0.39217 0.75 ] [ 0.272943 0.60783 0.25 ] [ 0.28611 0.805188 0.25 ] [ 0.71389 0.194812 0.75 ] [ 0.71389 0.805188 0.75 ] [ 0.28611 0.194812 0.25 ] [ 0.702939 0 0.75 ] [ 0.297061 0 0.25 ] [ 0.78611 0.305188 0.25 ] [ 0.21389 0.694812 0.75 ] [ 0.21389 0.305188 0.75 ] [ 0.78611 0.694812 0.25 ] [ 0.202939 0.5 0.75 ] [ 0.797061 0.5 0.25 ] ] } "species" { "source-value" [ "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "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" 4.74663055991 "source-unit" "angstrom" } "b" { "source-value" 14.3534929088 "source-unit" "angstrom" } "c" { "source-value" 4.62987984 "source-unit" "angstrom" } }