{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbcm" } "basis-atom-coordinates" { "source-value" [ [ 0.482934 0.194449 0.25 ] [ 0.482934 0.305551 0.75 ] [ 0.517066 0.694449 0.25 ] [ 0.517066 0.805551 0.75 ] [ 0 0 0 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0 0 0.5 ] [ 0.116147 0.973299 0.75 ] [ 0.116147 0.526701 0.25 ] [ 0.883853 0.473299 0.75 ] [ 0.883853 0.026701 0.25 ] [ 0.14452 0.25 0.5 ] [ 0.85548 0.75 0 ] [ 0.85548 0.75 0.5 ] [ 0.14452 0.25 0 ] [ 0.295054 0.925235 0.069112 ] [ 0.295054 0.574765 0.930888 ] [ 0.704946 0.425235 0.430888 ] [ 0.704946 0.074765 0.569112 ] [ 0.704946 0.074765 0.930888 ] [ 0.704946 0.425235 0.069112 ] [ 0.295054 0.574765 0.569112 ] [ 0.295054 0.925235 0.430888 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "U" "U" "U" "U" "O" "O" "O" "O" "O" "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" 5.88355466 "source-unit" "angstrom" } "b" { "source-value" 8.2140029 "source-unit" "angstrom" } "c" { "source-value" 8.29527653 "source-unit" "angstrom" } }