{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mbm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.321678 0.821678 0.5 ] [ 0.821678 0.678322 0.5 ] [ 0.178322 0.321678 0.5 ] [ 0.678322 0.178322 0.5 ] [ 0.110579 0.610579 0 ] [ 0.610579 0.889421 0 ] [ 0.389421 0.110579 0 ] [ 0.889421 0.389421 0 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "V" "V" "B" "B" "B" "B" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.73047418 "source-unit" "angstrom" } "c" { "source-value" 3.01784298 "source-unit" "angstrom" } }