{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Fddd" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.75 0.25 0.75 ] [ 0 0.5 0.5 ] [ 0.75 0.75 0.25 ] [ 0.5 0 0.5 ] [ 0.25 0.25 0.25 ] [ 0.5 0.5 0 ] [ 0.25 0.75 0.75 ] [ 0.5 0.171637 0 ] [ 0.75 0.921637 0.75 ] [ 0 0.328363 0 ] [ 0.25 0.078363 0.75 ] [ 0.5 0.671637 0.5 ] [ 0.75 0.421637 0.25 ] [ 0 0.828363 0.5 ] [ 0.25 0.578363 0.25 ] [ 0 0.171637 0.5 ] [ 0.25 0.921637 0.25 ] [ 0.5 0.328363 0.5 ] [ 0.75 0.078363 0.25 ] [ 0 0.671637 0 ] [ 0.25 0.421637 0.75 ] [ 0.5 0.828363 0 ] [ 0.75 0.578363 0.75 ] [ 0 0 0.630719 ] [ 0.75 0.75 0.880719 ] [ 0.75 0.25 0.119281 ] [ 0 0.5 0.869281 ] [ 0 0.5 0.130719 ] [ 0.75 0.25 0.380719 ] [ 0.75 0.75 0.619281 ] [ 0 0 0.369281 ] [ 0.5 0 0.130719 ] [ 0.25 0.75 0.380719 ] [ 0.25 0.25 0.619281 ] [ 0.5 0.5 0.369281 ] [ 0.5 0.5 0.630719 ] [ 0.25 0.25 0.880719 ] [ 0.25 0.75 0.119281 ] [ 0.5 0 0.869281 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.06994971 "source-unit" "angstrom" } "b" { "source-value" 9.46753091 "source-unit" "angstrom" } "c" { "source-value" 10.7295285 "source-unit" "angstrom" } }