{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/nmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.147971 ] [ 0 0.5 0.852029 ] [ 0.5 0.5 0.5 ] [ 0 0 0.5 ] [ 0 0.5 0.316611 ] [ 0.5 0 0.683389 ] [ 0 0 0 ] [ 0.5 0.5 0 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ag" "Ag" "Te" "Te" "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" 4.58337329 "source-unit" "angstrom" } "c" { "source-value" 9.83436951 "source-unit" "angstrom" } }