{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imma" } "basis-atom-coordinates" { "source-value" [ [ 0 0.980772 0.25 ] [ 0 0.019228 0.75 ] [ 0.5 0.480772 0.75 ] [ 0.5 0.519228 0.25 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0.75 0.75 0.060694 ] [ 0.75 0.25 0.939306 ] [ 0.25 0.25 0.939306 ] [ 0.25 0.75 0.060694 ] [ 0.5 0.10119 0.25 ] [ 0.5 0.89881 0.75 ] [ 0.25 0.25 0.560694 ] [ 0.25 0.75 0.439306 ] [ 0.75 0.75 0.439306 ] [ 0.75 0.25 0.560694 ] [ 0 0.60119 0.75 ] [ 0 0.39881 0.25 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Pr" "Pr" "Pr" "Pr" "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" 6.42914958 "source-unit" "angstrom" } "b" { "source-value" 6.46309557 "source-unit" "angstrom" } "c" { "source-value" 9.13805401 "source-unit" "angstrom" } }