{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-42_1m" } "basis-atom-coordinates" { "source-value" [ [ 0.665975 0.165975 0.990835 ] [ 0.834025 0.665975 0.009165 ] [ 0.165975 0.334025 0.009165 ] [ 0.334025 0.834025 0.990835 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.861141 0.361141 0.523703 ] [ 0.138859 0.638859 0.523703 ] [ 0.638859 0.861141 0.476297 ] [ 0.361141 0.138859 0.476297 ] [ 0.685237 0.417885 0.666921 ] [ 0.314763 0.582115 0.666921 ] [ 0.417885 0.314763 0.333079 ] [ 0.582115 0.685237 0.333079 ] [ 0.917885 0.185237 0.666921 ] [ 0.814763 0.917885 0.333079 ] [ 0.185237 0.082115 0.333079 ] [ 0.082115 0.814763 0.666921 ] [ 0.865543 0.365543 0.207616 ] [ 0.634457 0.865543 0.792384 ] [ 0 0.5 0.652885 ] [ 0.5 0 0.347115 ] [ 0.134457 0.634457 0.207616 ] [ 0.365543 0.134457 0.792384 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Cu" "Cu" "Ge" "Ge" "Ge" "Ge" "O" "O" "O" "O" "O" "O" "O" "O" "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" 8.60686213 "source-unit" "angstrom" } "c" { "source-value" 5.50933126 "source-unit" "angstrom" } }