{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcb" } "basis-atom-coordinates" { "source-value" [ [ 0 0.731293 0.86103 ] [ 0.5 0.731293 0.13897 ] [ 0.5 0.268707 0.86103 ] [ 0 0.268707 0.13897 ] [ 0.5 0.231293 0.36103 ] [ 0 0.231293 0.63897 ] [ 0 0.768707 0.36103 ] [ 0.5 0.768707 0.63897 ] [ 0.5 0.825327 0.911838 ] [ 0.25 0 0.207752 ] [ 0 0.825327 0.088162 ] [ 0.75 0 0.207752 ] [ 0.25 0.5 0 ] [ 0.75 0.5 0 ] [ 0.25 0 0.792248 ] [ 0 0.174673 0.911838 ] [ 0.75 0 0.792248 ] [ 0.5 0.174673 0.088162 ] [ 0 0.325327 0.411838 ] [ 0.75 0.5 0.707752 ] [ 0.5 0.325327 0.588162 ] [ 0.25 0.5 0.707752 ] [ 0.75 0 0.5 ] [ 0.25 0 0.5 ] [ 0.75 0.5 0.292248 ] [ 0.5 0.674673 0.411838 ] [ 0.25 0.5 0.292248 ] [ 0 0.674673 0.588162 ] [ 0 0.091282 0.353105 ] [ 0.5 0.091282 0.646895 ] [ 0.5 0.908718 0.353105 ] [ 0 0.908718 0.646895 ] [ 0.25 0 0 ] [ 0.75 0 0 ] [ 0.5 0.591282 0.853105 ] [ 0 0.591282 0.146895 ] [ 0 0.408718 0.853105 ] [ 0.5 0.408718 0.146895 ] [ 0.75 0.5 0.5 ] [ 0.25 0.5 0.5 ] ] } "species" { "source-value" [ "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.84960183 "source-unit" "angstrom" } "b" { "source-value" 9.97173277 "source-unit" "angstrom" } "c" { "source-value" 12.57047537 "source-unit" "angstrom" } }