{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-42c" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.75 ] [ 0 0.5 0.25 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.266531 0.767671 0.626094 ] [ 0.767671 0.733469 0.373906 ] [ 0.232329 0.266531 0.373906 ] [ 0.733469 0.767671 0.873906 ] [ 0.266531 0.232329 0.873906 ] [ 0.733469 0.232329 0.626094 ] [ 0.767671 0.266531 0.126094 ] [ 0.232329 0.733469 0.126094 ] ] } "species" { "source-value" [ "Ga" "Ga" "Cu" "Cu" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.51591743 "source-unit" "angstrom" } "c" { "source-value" 10.30813373 "source-unit" "angstrom" } }