{ "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" [ [ 0.25 0.757221 0.401783 ] [ 0.75 0.242779 0.598217 ] [ 0.25 0.257221 0.098217 ] [ 0.75 0.742779 0.901783 ] [ 0.25 0.982778 0.647961 ] [ 0.75 0.017222 0.352039 ] [ 0.25 0.482778 0.852039 ] [ 0.75 0.517222 0.147961 ] [ 0.75 0.14145 0.929062 ] [ 0.25 0.85855 0.070938 ] [ 0.75 0.64145 0.570938 ] [ 0.25 0.35855 0.429062 ] ] } "species" { "source-value" [ "Pb" "Pb" "Pb" "Pb" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.94635977 "source-unit" "angstrom" } "b" { "source-value" 6.56594505 "source-unit" "angstrom" } "c" { "source-value" 7.80793976 "source-unit" "angstrom" } }