{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.891348 0.25 ] [ 0 0.108652 0.75 ] [ 0.5 0.391348 0.25 ] [ 0.5 0.608652 0.75 ] [ 0.5 0.822158 0.75 ] [ 0.5 0.177842 0.25 ] [ 0 0.322158 0.75 ] [ 0 0.677842 0.25 ] [ 0 0.750399 0.75 ] [ 0 0.249601 0.25 ] [ 0.5 0.042984 0.25 ] [ 0.5 0.957016 0.75 ] [ 0.5 0.250399 0.75 ] [ 0.5 0.749601 0.25 ] [ 0 0.542984 0.25 ] [ 0 0.457016 0.75 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ni" "Ni" "Ni" "Ni" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.23144453888 "source-unit" "angstrom" } "b" { "source-value" 17.3391107203 "source-unit" "angstrom" } "c" { "source-value" 4.07920548 "source-unit" "angstrom" } }