{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbam" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.24719 0.894839 ] [ 0.5 0.25281 0.394839 ] [ 0.5 0.74719 0.605161 ] [ 0.5 0.75281 0.105161 ] [ 0 0.243214 0.637639 ] [ 0 0.256786 0.137639 ] [ 0 0.743214 0.862361 ] [ 0 0.756786 0.362361 ] [ 0 0 0 ] [ 0 0.100219 0.293392 ] [ 0.5 0.193785 0.603921 ] [ 0.5 0.306215 0.103921 ] [ 0 0.399781 0.793392 ] [ 0 0.5 0.5 ] [ 0 0.600219 0.206608 ] [ 0.5 0.693785 0.896079 ] [ 0.5 0.806215 0.396079 ] [ 0 0.899781 0.706608 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ce" "Ce" "Ce" "Ce" "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" 4.47663822 "source-unit" "angstrom" } "b" { "source-value" 6.24336162 "source-unit" "angstrom" } "c" { "source-value" 12.75001121 "source-unit" "angstrom" } }