{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccme" } "basis-atom-coordinates" { "source-value" [ [ 0 0.115509 0 ] [ 0.5 0.884491 0.5 ] [ 0 0.884491 0 ] [ 0.5 0.115509 0.5 ] [ 0.5 0.615509 0 ] [ 0 0.384491 0.5 ] [ 0.5 0.384491 0 ] [ 0 0.615509 0.5 ] [ 0.84567 0 0.343331 ] [ 0.65433 0 0.843331 ] [ 0.34567 0 0.156669 ] [ 0.15433 0 0.656669 ] [ 0.252312 0.75 0.25 ] [ 0.747688 0.75 0.75 ] [ 0.247688 0.75 0.75 ] [ 0.752312 0.75 0.25 ] [ 0.34567 0.5 0.343331 ] [ 0.15433 0.5 0.843331 ] [ 0.84567 0.5 0.156669 ] [ 0.65433 0.5 0.656669 ] [ 0.752312 0.25 0.25 ] [ 0.247688 0.25 0.75 ] [ 0.747688 0.25 0.75 ] [ 0.252312 0.25 0.25 ] ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ge" "Ge" "Ge" "Ge" "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" 5.8042568007 "source-unit" "angstrom" } "b" { "source-value" 10.9110504406 "source-unit" "angstrom" } "c" { "source-value" 5.80088314 "source-unit" "angstrom" } }