{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_32_12" } "basis-atom-coordinates" { "source-value" [ [ 0.999656 0.660207 0.334523 ] [ 0.500344 0.160207 0.415477 ] [ 0.839793 0.499656 0.084523 ] [ 0.000344 0.339793 0.834523 ] [ 0.339793 0.000344 0.165477 ] [ 0.499656 0.839793 0.915477 ] [ 0.160207 0.500344 0.584523 ] [ 0.660207 0.999656 0.665477 ] [ 0.497141 0.502859 0.75 ] [ 0.002859 0.002859 0 ] [ 0.997141 0.997141 0.5 ] [ 0.502859 0.497141 0.25 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "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" 3.99359026552 "source-unit" "angstrom" } "c" { "source-value" 11.2371673917 "source-unit" "angstrom" } }