{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.247783 0.825232 ] [ 0.75 0.752217 0.174768 ] [ 0.25 0.747783 0.674768 ] [ 0.75 0.252217 0.325232 ] [ 0.25 0.60068 0.952641 ] [ 0.75 0.39932 0.047359 ] [ 0.25 0.10068 0.547359 ] [ 0.75 0.89932 0.452641 ] [ 0.25 0.541634 0.381339 ] [ 0.75 0.458366 0.618661 ] [ 0.25 0.041634 0.118661 ] [ 0.75 0.958366 0.881339 ] [ 0.25 0.976012 0.344015 ] [ 0.75 0.023988 0.655985 ] [ 0.25 0.476012 0.155985 ] [ 0.75 0.523988 0.844015 ] [ 0.25 0.354767 0.541339 ] [ 0.75 0.645233 0.458661 ] [ 0.25 0.854767 0.958661 ] [ 0.75 0.145233 0.041339 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.26170004 "source-unit" "angstrom" } "b" { "source-value" 10.14121458 "source-unit" "angstrom" } "c" { "source-value" 10.9442217 "source-unit" "angstrom" } }