{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbcm" } "basis-atom-coordinates" { "source-value" [ [ 0.132218 0.034472 0.25 ] [ 0.132218 0.465528 0.75 ] [ 0.867782 0.534472 0.25 ] [ 0.867782 0.965528 0.75 ] [ 0.607462 0.25 0 ] [ 0.392538 0.75 0.5 ] [ 0.392538 0.75 0 ] [ 0.607462 0.25 0.5 ] [ 0.112964 0.25 0 ] [ 0.887036 0.75 0.5 ] [ 0.887036 0.75 0 ] [ 0.112964 0.25 0.5 ] [ 0.424178 0.389157 0.25 ] [ 0.424178 0.110843 0.75 ] [ 0.575822 0.889157 0.25 ] [ 0.575822 0.610843 0.75 ] [ 0.046779 0.765537 0.117325 ] [ 0.046779 0.734463 0.882675 ] [ 0.953221 0.265537 0.382675 ] [ 0.953221 0.234463 0.617325 ] [ 0.953221 0.234463 0.882675 ] [ 0.953221 0.265537 0.117325 ] [ 0.046779 0.734463 0.617325 ] [ 0.046779 0.765537 0.382675 ] [ 0.270056 0.075139 0.031602 ] [ 0.270056 0.424861 0.968398 ] [ 0.729944 0.575139 0.468398 ] [ 0.729944 0.924861 0.531602 ] [ 0.729944 0.924861 0.968398 ] [ 0.729944 0.575139 0.031602 ] [ 0.270056 0.424861 0.531602 ] [ 0.270056 0.075139 0.468398 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Si" "Si" "Si" "Si" "Se" "Se" "Se" "Se" "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" 6.28538825 "source-unit" "angstrom" } "b" { "source-value" 7.26030095 "source-unit" "angstrom" } "c" { "source-value" 11.17910337 "source-unit" "angstrom" } }