{ "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 0.5 ] [ 0.5 0.5 0 ] [ 0 0 0.245015 ] [ 0 0 0.754985 ] [ 0 0 0.5 ] [ 0.5 0 0.189871 ] [ 0.5 0 0.810129 ] [ 0 0.5 0.197863 ] [ 0 0.5 0.802137 ] ] } "species" { "source-value" [ "Ba" "Nd" "Co" "Co" "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" 3.89477891 "source-unit" "angstrom" } "b" { "source-value" 4.0411443 "source-unit" "angstrom" } "c" { "source-value" 7.75939081 "source-unit" "angstrom" } }