{ "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 0.062925 0.75 ] [ 0 0.937075 0.25 ] [ 0.5 0.562925 0.75 ] [ 0.5 0.437075 0.25 ] [ 0.5 0.845965 0.946235 ] [ 0.5 0.154035 0.053765 ] [ 0.5 0.154035 0.446235 ] [ 0.5 0.845965 0.553765 ] [ 0 0.345965 0.946235 ] [ 0 0.654035 0.053765 ] [ 0 0.654035 0.446235 ] [ 0 0.345965 0.553765 ] [ 0 0.785332 0.75 ] [ 0 0.214668 0.25 ] [ 0.5 0.285332 0.75 ] [ 0.5 0.714668 0.25 ] ] } "species" { "source-value" [ "Er" "Er" "Er" "Er" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Ni" "Ni" "Ni" "Ni" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.05377256 "source-unit" "angstrom" } "b" { "source-value" 10.05593284 "source-unit" "angstrom" } "c" { "source-value" 6.85229337 "source-unit" "angstrom" } }