{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnam" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.245256 0.652126 ] [ 0.25 0.254744 0.152126 ] [ 0.75 0.745256 0.847874 ] [ 0.25 0.754744 0.347874 ] [ 0.75 0.070904 0.890028 ] [ 0.75 0.07789 0.393194 ] [ 0.25 0.42211 0.893194 ] [ 0.25 0.429096 0.390028 ] [ 0.75 0.570904 0.609972 ] [ 0.75 0.57789 0.106806 ] [ 0.25 0.92211 0.606806 ] [ 0.25 0.929096 0.109972 ] [ 0.25 0.020884 0.283281 ] [ 0.75 0.07391 0.074016 ] [ 0.25 0.116851 0.520279 ] [ 0.25 0.208231 0.840193 ] [ 0.75 0.291769 0.340193 ] [ 0.75 0.383149 0.020279 ] [ 0.25 0.42609 0.574016 ] [ 0.75 0.479116 0.783281 ] [ 0.25 0.520884 0.216719 ] [ 0.75 0.57391 0.425984 ] [ 0.25 0.616851 0.979721 ] [ 0.25 0.708231 0.659807 ] [ 0.75 0.791769 0.159807 ] [ 0.75 0.883149 0.479721 ] [ 0.25 0.92609 0.925984 ] [ 0.75 0.979116 0.716719 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "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" 3.20939056 "source-unit" "angstrom" } "b" { "source-value" 9.76036468 "source-unit" "angstrom" } "c" { "source-value" 11.34946784 "source-unit" "angstrom" } }