{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.350986 0.568196 ] [ 0 0.649014 0.068196 ] [ 0 0.289874 0.25 ] [ 0 0.649014 0.431804 ] [ 0 0.710126 0.75 ] [ 0 0.350986 0.931804 ] [ 0.5 0.850986 0.568196 ] [ 0.5 0.149014 0.068196 ] [ 0.5 0.789874 0.25 ] [ 0.5 0.149014 0.431804 ] [ 0.5 0.210126 0.75 ] [ 0.5 0.850986 0.931804 ] [ 0 0.074799 0.75 ] [ 0 0 0 ] [ 0 0.925201 0.25 ] [ 0 0 0.5 ] [ 0.5 0.574799 0.75 ] [ 0.5 0.5 0 ] [ 0.5 0.425201 0.25 ] [ 0.5 0.5 0.5 ] [ 0.212562 0.921409 0.383927 ] [ 0.787438 0.921409 0.383927 ] [ 0.212562 0.078591 0.616073 ] [ 0.787438 0.921409 0.116073 ] [ 0.787438 0.078591 0.616073 ] [ 0.212562 0.078591 0.883927 ] [ 0.212562 0.921409 0.116073 ] [ 0.787438 0.078591 0.883927 ] [ 0.712562 0.421409 0.383927 ] [ 0.287438 0.421409 0.383927 ] [ 0.712562 0.578591 0.616073 ] [ 0.287438 0.421409 0.116073 ] [ 0.287438 0.578591 0.616073 ] [ 0.712562 0.578591 0.883927 ] [ 0.712562 0.421409 0.116073 ] [ 0.287438 0.578591 0.883927 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "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" 6.22737180493 "source-unit" "angstrom" } "b" { "source-value" 9.32302513244 "source-unit" "angstrom" } "c" { "source-value" 11.55507682 "source-unit" "angstrom" } }