{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-42m" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.25 ] [ 0.5 0.5 0 ] [ 0 0.5 0.25 ] [ 0 0.5 0.75 ] [ 0 0 0.5 ] [ 0.5 0 0.75 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.758217 0.758217 0.118654 ] [ 0.241783 0.241783 0.118654 ] [ 0.758217 0.241783 0.881346 ] [ 0.241783 0.758217 0.881346 ] [ 0.258217 0.258217 0.618654 ] [ 0.741783 0.741783 0.618654 ] [ 0.258217 0.741783 0.381346 ] [ 0.741783 0.258217 0.381346 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Ni" "Ni" "P" "P" "P" "P" "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" 5.20341572 "source-unit" "angstrom" } "c" { "source-value" 10.42960851 "source-unit" "angstrom" } }