{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.181939 ] [ 0.5 0.5 0.818061 ] [ 0.5 0.5 0.5 ] [ 0 0 0.644272 ] [ 0 0 0.355728 ] [ 0 0 0 ] [ 0.5 0 0.382551 ] [ 0 0 0.838345 ] [ 0.5 0 0.617449 ] [ 0 0.5 0.380726 ] [ 0 0.5 0.619274 ] [ 0 0 0.161655 ] [ 0 0.5 0 ] ] } "species" { "source-value" [ "Ba" "Ba" "Tm" "Cu" "Cu" "Cu" "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" 3.82193776 "source-unit" "angstrom" } "b" { "source-value" 3.92593377001 "source-unit" "angstrom" } "c" { "source-value" 11.73833037 "source-unit" "angstrom" } }