{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbca" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0.691166 0.301138 0.616378 ] [ 0.191166 0.198862 0.383622 ] [ 0.308834 0.801138 0.883622 ] [ 0.808834 0.698862 0.116378 ] [ 0.191166 0.301138 0.883622 ] [ 0.691166 0.198862 0.116378 ] [ 0.808834 0.801138 0.616378 ] [ 0.308834 0.698862 0.383622 ] ] } "species" { "source-value" [ "Ag" "Ag" "Ag" "Ag" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.32748306 "source-unit" "angstrom" } "b" { "source-value" 5.73270893 "source-unit" "angstrom" } "c" { "source-value" 5.96842781 "source-unit" "angstrom" } }