{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.976279 0.829886 ] [ 0.25 0.023721 0.170114 ] [ 0.75 0.476279 0.670114 ] [ 0.25 0.523721 0.329886 ] [ 0.25 0.644193 0.93813 ] [ 0.75 0.355807 0.06187 ] [ 0.25 0.144193 0.56187 ] [ 0.75 0.855807 0.43813 ] [ 0.25 0.265317 0.876774 ] [ 0.75 0.734683 0.123226 ] [ 0.25 0.765317 0.623226 ] [ 0.75 0.234683 0.376774 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "Fe" "Fe" "Fe" "Fe" "P" "P" "P" "P" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.53399457 "source-unit" "angstrom" } "b" { "source-value" 5.75351008 "source-unit" "angstrom" } "c" { "source-value" 6.55566491 "source-unit" "angstrom" } }