{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm2m" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.490241 0 ] [ 0 0.002659 0.5 ] [ 0 0.498745 0.266189 ] [ 0.5 0.99419 0.262524 ] [ 0 0.498745 0.733811 ] [ 0.5 0.99419 0.737476 ] ] } "species" { "source-value" [ "Ba" "Ca" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.69978653 "source-unit" "angstrom" } "b" { "source-value" 5.71922354 "source-unit" "angstrom" } "c" { "source-value" 8.18685944 "source-unit" "angstrom" } }