{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/m" } "basis-atom-coordinates" { "source-value" [ [ 0.805938 0.13194 0.5 ] [ 0.13194 0.194062 0.5 ] [ 0.86806 0.805938 0.5 ] [ 0.194062 0.86806 0.5 ] [ 0 0 0 ] [ 0.305938 0.63194 0 ] [ 0.63194 0.694062 0 ] [ 0.36806 0.305938 0 ] [ 0.694062 0.36806 0 ] [ 0.5 0.5 0.5 ] [ 0.051894 0.715082 0 ] [ 0.715082 0.948106 0 ] [ 0.284918 0.051894 0 ] [ 0.948106 0.284918 0 ] [ 0.551894 0.215082 0.5 ] [ 0.215082 0.448106 0.5 ] [ 0.784918 0.551894 0.5 ] [ 0.448106 0.784918 0.5 ] ] } "species" { "source-value" [ "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "As" "As" "As" "As" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.89783083 "source-unit" "angstrom" } "c" { "source-value" 3.45166272 "source-unit" "angstrom" } }