{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.831334 0.5 ] [ 0.5 0.168666 0.5 ] [ 0 0.331334 0.5 ] [ 0 0.668666 0.5 ] [ 0 0.10847 0 ] [ 0 0.89153 0 ] [ 0.5 0.60847 0 ] [ 0.5 0.39153 0 ] [ 0.5 0.056673 0 ] [ 0.5 0.943327 0 ] [ 0 0.943325 0.5 ] [ 0 0.056675 0.5 ] [ 0 0.784104 0 ] [ 0 0.215896 0 ] [ 0 0.556673 0 ] [ 0 0.443327 0 ] [ 0.5 0.443325 0.5 ] [ 0.5 0.556675 0.5 ] [ 0.5 0.284104 0 ] [ 0.5 0.715896 0 ] ] } "species" { "source-value" [ "Pr" "Pr" "Pr" "Pr" "Ni" "Ni" "Ni" "Ni" "Ge" "Ge" "Ge" "Ge" "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" 4.17526955808 "source-unit" "angstrom" } "b" { "source-value" 21.9769844629 "source-unit" "angstrom" } "c" { "source-value" 4.201523 "source-unit" "angstrom" } }