{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Fd-3m" } "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 ] [ 0.625 0.875 0.875 ] [ 0.375 0.125 0.875 ] [ 0.625 0.125 0.125 ] [ 0.875 0.875 0.625 ] [ 0.625 0.375 0.375 ] [ 0.375 0.625 0.375 ] [ 0.625 0.625 0.625 ] [ 0.875 0.375 0.125 ] [ 0.125 0.875 0.375 ] [ 0.875 0.125 0.375 ] [ 0.125 0.125 0.625 ] [ 0.375 0.875 0.125 ] [ 0.125 0.375 0.875 ] [ 0.875 0.625 0.875 ] [ 0.125 0.625 0.125 ] [ 0.375 0.375 0.625 ] [ 0.136358 0.136358 0.863642 ] [ 0.636358 0.363642 0.136358 ] [ 0.863642 0.363642 0.363642 ] [ 0.886358 0.113642 0.613642 ] [ 0.863642 0.136358 0.136358 ] [ 0.886358 0.886358 0.386358 ] [ 0.113642 0.886358 0.613642 ] [ 0.613642 0.113642 0.886358 ] [ 0.136358 0.636358 0.363642 ] [ 0.636358 0.863642 0.636358 ] [ 0.863642 0.863642 0.863642 ] [ 0.886358 0.613642 0.113642 ] [ 0.863642 0.636358 0.636358 ] [ 0.886358 0.386358 0.886358 ] [ 0.113642 0.386358 0.113642 ] [ 0.613642 0.613642 0.386358 ] [ 0.636358 0.136358 0.363642 ] [ 0.136358 0.363642 0.636358 ] [ 0.363642 0.363642 0.863642 ] [ 0.386358 0.113642 0.113642 ] [ 0.363642 0.136358 0.636358 ] [ 0.386358 0.886358 0.886358 ] [ 0.613642 0.886358 0.113642 ] [ 0.113642 0.113642 0.386358 ] [ 0.636358 0.636358 0.863642 ] [ 0.136358 0.863642 0.136358 ] [ 0.363642 0.863642 0.363642 ] [ 0.386358 0.613642 0.613642 ] [ 0.363642 0.636358 0.136358 ] [ 0.386358 0.386358 0.386358 ] [ 0.613642 0.386358 0.613642 ] [ 0.113642 0.613642 0.886358 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" } "short-name" { "source-value" [ "diamond" ] } "a" { "source-value" 9.90156824 "source-unit" "angstrom" } }