{ "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 0.749744 ] [ 0.5 0 0.250256 ] [ 0.5 0.5 0.268687 ] [ 0.5 0.5 0.731313 ] [ 0 0.254943 0 ] [ 0 0.745057 0 ] [ 0 0.747728 0.5 ] [ 0 0.252272 0.5 ] [ 0 0.295945 0.772642 ] [ 0 0.704055 0.227358 ] [ 0 0.295945 0.227358 ] [ 0 0.704055 0.772642 ] [ 0.5 0.27117 0.5 ] [ 0.5 0.72883 0.5 ] [ 0.5 0.309572 0 ] [ 0.5 0.690428 0 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0 0 0.5 ] ] } "species" { "source-value" [ "Ba" "Ba" "Nd" "Nd" "Co" "Co" "Co" "Co" "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" 3.96822408 "source-unit" "angstrom" } "b" { "source-value" 7.75571386 "source-unit" "angstrom" } "c" { "source-value" 7.94938184 "source-unit" "angstrom" } }