{ "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" [ [ 0.25 0.527808 0.321038 ] [ 0.75 0.472192 0.678962 ] [ 0.25 0.027808 0.178962 ] [ 0.75 0.972192 0.821038 ] [ 0.25 0.258276 0.875787 ] [ 0.75 0.741724 0.124213 ] [ 0.25 0.758276 0.624213 ] [ 0.75 0.241724 0.375787 ] [ 0.75 0.856882 0.43789 ] [ 0.25 0.143118 0.56211 ] [ 0.75 0.356882 0.06211 ] [ 0.25 0.643118 0.93789 ] ] } "species" { "source-value" [ "Hf" "Hf" "Hf" "Hf" "Si" "Si" "Si" "Si" "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" 3.89109844 "source-unit" "angstrom" } "b" { "source-value" 6.60601169 "source-unit" "angstrom" } "c" { "source-value" 7.61565343 "source-unit" "angstrom" } }