{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.805909 ] [ 0.5 0.5 0.194091 ] [ 0.5 0.5 0.5 ] [ 0 0 0.358872 ] [ 0 0 0.641128 ] [ 0 0 0 ] [ 0 0 0.852033 ] [ 0 0 0.147967 ] [ 0.5 0 0.627668 ] [ 0 0.5 0.627668 ] [ 0.5 0 0.372332 ] [ 0 0.5 0.372332 ] ] } "species" { "source-value" [ "Ba" "Ba" "Nd" "Cu" "Cu" "Cu" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.925226685 "source-unit" "angstrom" } "c" { "source-value" 12.14194981 "source-unit" "angstrom" } }