{ "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 0.343151 0.405629 ] [ 0.75 0.656849 0.594371 ] [ 0.25 0.843151 0.094371 ] [ 0.75 0.156849 0.905629 ] [ 0.25 0.514447 0.808744 ] [ 0.75 0.485553 0.191256 ] [ 0.25 0.014447 0.691256 ] [ 0.75 0.985553 0.308744 ] [ 0.928156 0.30645 0.645712 ] [ 0.428156 0.69355 0.354288 ] [ 0.571844 0.80645 0.854288 ] [ 0.071844 0.19355 0.145712 ] [ 0.071844 0.69355 0.354288 ] [ 0.571844 0.30645 0.645712 ] [ 0.428156 0.19355 0.145712 ] [ 0.928156 0.80645 0.854288 ] [ 0.75 0.802448 0.034128 ] [ 0.25 0.197552 0.965872 ] [ 0.75 0.302448 0.465872 ] [ 0.25 0.697552 0.534128 ] [ 0.75 0.585597 0.908963 ] [ 0.25 0.414403 0.091037 ] [ 0.75 0.085597 0.591037 ] [ 0.25 0.914403 0.408963 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "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" 6.75991965 "source-unit" "angstrom" } "b" { "source-value" 9.05544502 "source-unit" "angstrom" } "c" { "source-value" 11.5863615 "source-unit" "angstrom" } }