{ "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 0.104321 0.75 ] [ 0 0.895679 0.25 ] [ 0.5 0.604321 0.75 ] [ 0.5 0.395679 0.25 ] [ 0.5 0.940555 0.75 ] [ 0.5 0.059445 0.25 ] [ 0.5 0.750417 0.25 ] [ 0.5 0.249583 0.75 ] [ 0 0.440555 0.75 ] [ 0 0.559445 0.25 ] [ 0 0.250417 0.25 ] [ 0 0.749583 0.75 ] ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" "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" 3.84870995078 "source-unit" "angstrom" } "b" { "source-value" 15.1708321733 "source-unit" "angstrom" } "c" { "source-value" 3.81655243 "source-unit" "angstrom" } }