{ "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 0.19119 0.5 ] [ 0 0.80881 0.5 ] [ 0.349887 0 0.5 ] [ 0.650113 0 0.5 ] [ 0.5 0.69119 0.5 ] [ 0.5 0.30881 0.5 ] [ 0.849887 0.5 0.5 ] [ 0.150113 0.5 0.5 ] [ 0 0 0 ] [ 0.893798 0.677951 0 ] [ 0.106202 0.322049 0 ] [ 0.106202 0.677951 0 ] [ 0.893798 0.322049 0 ] [ 0.75 0.75 0.5 ] [ 0.75 0.25 0.5 ] [ 0.181032 0.108087 0 ] [ 0.818968 0.891913 0 ] [ 0.818968 0.108087 0 ] [ 0.181032 0.891913 0 ] [ 0.12183 0 0.5 ] [ 0.87817 0 0.5 ] [ 0.5 0.5 0 ] [ 0.393798 0.177951 0 ] [ 0.606202 0.822049 0 ] [ 0.606202 0.177951 0 ] [ 0.393798 0.822049 0 ] [ 0.25 0.25 0.5 ] [ 0.25 0.75 0.5 ] [ 0.681032 0.608087 0 ] [ 0.318968 0.391913 0 ] [ 0.318968 0.608087 0 ] [ 0.681032 0.391913 0 ] [ 0.62183 0.5 0.5 ] [ 0.37817 0.5 0.5 ] [ 0.75 0.75 0 ] [ 0.75 0.25 0 ] [ 0 0.556853 0 ] [ 0 0.443147 0 ] [ 0.25 0.25 0 ] [ 0.25 0.75 0 ] [ 0.5 0.056853 0 ] [ 0.5 0.943147 0 ] ] } "species" { "source-value" [ "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "C" "C" "C" "C" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 11.64232896 "source-unit" "angstrom" } "b" { "source-value" 11.76196988 "source-unit" "angstrom" } "c" { "source-value" 3.84562953 "source-unit" "angstrom" } }