{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.093575 0.857786 ] [ 0.25 0.593575 0.642214 ] [ 0.75 0.906425 0.142214 ] [ 0.75 0.406425 0.357786 ] [ 0.25 0.408979 0.107291 ] [ 0.25 0.908979 0.392709 ] [ 0.75 0.091021 0.607291 ] [ 0.75 0.591021 0.892709 ] [ 0.25 0.715878 0.981682 ] [ 0.25 0.215878 0.518318 ] [ 0.25 0.151155 0.247715 ] [ 0.25 0.651155 0.252285 ] [ 0.75 0.348845 0.747715 ] [ 0.75 0.848845 0.752285 ] [ 0.75 0.284122 0.018318 ] [ 0.75 0.784122 0.481682 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ca" "Ca" "Ca" "Ca" "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" 3.76412419 "source-unit" "angstrom" } "b" { "source-value" 6.32443036 "source-unit" "angstrom" } "c" { "source-value" 12.26173393 "source-unit" "angstrom" } }