{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Immm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.355195 ] [ 0.5 0.5 0.144805 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.855195 ] [ 0 0 0.644805 ] [ 0 0 0.5 ] [ 0.5 0.5 0.28493 ] [ 0 0 0.21507 ] [ 0.5 0.5 0.428206 ] [ 0 0 0.071794 ] [ 0 0 0.78493 ] [ 0.5 0.5 0.71507 ] [ 0 0 0.928206 ] [ 0.5 0.5 0.571794 ] [ 0.5 0 0.140419 ] [ 0 0.5 0.359581 ] [ 0.5 0 0 ] [ 0 0.5 0.222379 ] [ 0.5 0 0.277621 ] [ 0 0.5 0.073679 ] [ 0.5 0 0.426321 ] [ 0 0.5 0.640419 ] [ 0.5 0 0.859581 ] [ 0 0.5 0.5 ] [ 0.5 0 0.722379 ] [ 0 0.5 0.777621 ] [ 0.5 0 0.573679 ] [ 0 0.5 0.926321 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "O" "O" "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" 3.80435597 "source-unit" "angstrom" } "b" { "source-value" 5.39864028 "source-unit" "angstrom" } "c" { "source-value" 26.73624212 "source-unit" "angstrom" } }