{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.893963 0.25 ] [ 0 0.106037 0.75 ] [ 0.5 0.393963 0.25 ] [ 0.5 0.606037 0.75 ] [ 0 0.249297 0.25 ] [ 0 0.750703 0.75 ] [ 0.5 0.960336 0.75 ] [ 0.5 0.039664 0.25 ] [ 0.5 0.749297 0.25 ] [ 0.5 0.250703 0.75 ] [ 0 0.460336 0.75 ] [ 0 0.539664 0.25 ] [ 0.5 0.819402 0.75 ] [ 0.5 0.180598 0.25 ] [ 0 0.319402 0.75 ] [ 0 0.680598 0.25 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Ni" "Ni" "Ni" "Ni" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.10339711459 "source-unit" "angstrom" } "b" { "source-value" 16.2801403095 "source-unit" "angstrom" } "c" { "source-value" 4.05536593 "source-unit" "angstrom" } }