{ "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" [ [ 0.75 0.479388 0.669714 ] [ 0.25 0.520612 0.330286 ] [ 0.75 0.979388 0.830286 ] [ 0.25 0.020612 0.169714 ] [ 0.25 0.144531 0.582922 ] [ 0.75 0.855469 0.417078 ] [ 0.25 0.644531 0.917078 ] [ 0.75 0.355469 0.082922 ] [ 0.25 0.7491 0.601357 ] [ 0.75 0.2509 0.398643 ] [ 0.25 0.2491 0.898643 ] [ 0.75 0.7509 0.101357 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "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" 5.41883497 "source-unit" "angstrom" } "b" { "source-value" 8.52438672 "source-unit" "angstrom" } "c" { "source-value" 10.17434722 "source-unit" "angstrom" } }