{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnmm" } "basis-atom-coordinates" { "source-value" [ [ 0.392475 0.25 0.75 ] [ 0.607525 0.75 0.25 ] [ 0.010156 0.75 0.75 ] [ 0.989844 0.25 0.25 ] [ 0.869692 0.521029 0.75 ] [ 0.869692 0.978971 0.75 ] [ 0.687693 0.25 0.25 ] [ 0.312307 0.75 0.75 ] [ 0.130308 0.478971 0.25 ] [ 0.130308 0.021029 0.25 ] ] } "species" { "source-value" [ "Ca" "Ca" "C" "C" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.34325347 "source-unit" "angstrom" } "b" { "source-value" 4.96119062 "source-unit" "angstrom" } "c" { "source-value" 5.14067777 "source-unit" "angstrom" } }