{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.13032 0.75 ] [ 0 0.86968 0.25 ] [ 0.5 0.08814 0.110008 ] [ 0.5 0.91186 0.889992 ] [ 0.5 0.91186 0.610008 ] [ 0.5 0.08814 0.389992 ] [ 0.5 0.63032 0.75 ] [ 0.5 0.36968 0.25 ] [ 0 0.58814 0.110008 ] [ 0 0.41186 0.889992 ] [ 0 0.41186 0.610008 ] [ 0 0.58814 0.389992 ] [ 0 0.837971 0.75 ] [ 0 0.162029 0.25 ] [ 0.5 0.792201 0.400336 ] [ 0.5 0.207799 0.599664 ] [ 0.5 0.207799 0.900336 ] [ 0.5 0.792201 0.099664 ] [ 0 0.115084 0.533997 ] [ 0 0.884916 0.466003 ] [ 0 0.884916 0.033997 ] [ 0 0.115084 0.966003 ] [ 0.5 0.337971 0.75 ] [ 0.5 0.662029 0.25 ] [ 0 0.292201 0.400336 ] [ 0 0.707799 0.599664 ] [ 0 0.707799 0.900336 ] [ 0 0.292201 0.099664 ] [ 0.5 0.615084 0.533997 ] [ 0.5 0.384916 0.466003 ] [ 0.5 0.384916 0.033997 ] [ 0.5 0.615084 0.966003 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.47368519 "source-unit" "angstrom" } "b" { "source-value" 10.84287418 "source-unit" "angstrom" } "c" { "source-value" 15.04904931 "source-unit" "angstrom" } }