{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.985091 0.056528 0.25 ] [ 0.485091 0.443472 0.75 ] [ 0.514909 0.556528 0.25 ] [ 0.014909 0.943472 0.75 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.706635 0.292731 0.456186 ] [ 0.206635 0.207269 0.543814 ] [ 0.793365 0.792731 0.043814 ] [ 0.293365 0.707269 0.956186 ] [ 0.293365 0.707269 0.543814 ] [ 0.793365 0.792731 0.456186 ] [ 0.206635 0.207269 0.956186 ] [ 0.706635 0.292731 0.043814 ] [ 0.0823 0.479411 0.25 ] [ 0.5823 0.020589 0.75 ] [ 0.4177 0.979411 0.25 ] [ 0.9177 0.520589 0.75 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "U" "U" "U" "U" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.26197928 "source-unit" "angstrom" } "b" { "source-value" 7.49293331 "source-unit" "angstrom" } "c" { "source-value" 10.39596009 "source-unit" "angstrom" } }