{ "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" [ [ 0.5 0.75662 0.25 ] [ 0.5 0.24338 0.75 ] [ 0 0.25662 0.25 ] [ 0 0.74338 0.75 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.96727 0.75 ] [ 0.5 0.03273 0.25 ] [ 0 0.46727 0.75 ] [ 0 0.53273 0.25 ] [ 0.5 0.877599 0.562862 ] [ 0.5 0.122401 0.437138 ] [ 0.5 0.122401 0.062862 ] [ 0 0.061395 0.75 ] [ 0 0.938605 0.25 ] [ 0.5 0.877599 0.937138 ] [ 0 0.377599 0.562862 ] [ 0 0.622401 0.437138 ] [ 0 0.622401 0.062862 ] [ 0.5 0.561395 0.75 ] [ 0.5 0.438605 0.25 ] [ 0 0.377599 0.937138 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "U" "U" "U" "U" "Cu" "Cu" "Cu" "Cu" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.96195785 "source-unit" "angstrom" } "b" { "source-value" 14.14847306 "source-unit" "angstrom" } "c" { "source-value" 10.29570839 "source-unit" "angstrom" } }