{ "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" [ [ 0.875 0.875 0.125 ] [ 0.125 0.125 0.125 ] [ 0.125 0.875 0.875 ] [ 0.375 0.125 0.375 ] [ 0.875 0.375 0.625 ] [ 0.125 0.625 0.625 ] [ 0.125 0.375 0.375 ] [ 0.375 0.625 0.875 ] [ 0.375 0.875 0.625 ] [ 0.625 0.125 0.625 ] [ 0.625 0.875 0.375 ] [ 0.875 0.125 0.875 ] [ 0.375 0.375 0.125 ] [ 0.625 0.625 0.125 ] [ 0.625 0.375 0.875 ] [ 0.875 0.625 0.375 ] [ 0.875 0.125 0.375 ] [ 0.125 0.375 0.875 ] [ 0.625 0.125 0.125 ] [ 0.875 0.375 0.125 ] [ 0.875 0.625 0.875 ] [ 0.125 0.875 0.375 ] [ 0.625 0.625 0.625 ] [ 0.875 0.875 0.625 ] [ 0.375 0.125 0.875 ] [ 0.625 0.375 0.375 ] [ 0.125 0.125 0.625 ] [ 0.375 0.375 0.625 ] [ 0.375 0.625 0.375 ] [ 0.625 0.875 0.875 ] [ 0.125 0.625 0.125 ] [ 0.375 0.875 0.125 ] [ 0 0 0 ] [ 0.75 0.75 0.952023 ] [ 0.25 0.452023 0.75 ] [ 0.75 0.047977 0.25 ] [ 0.952023 0.75 0.75 ] [ 0.047977 0.75 0.25 ] [ 0.5 0 0.202023 ] [ 0.25 0.75 0.047977 ] [ 0.702023 0 0 ] [ 0.5 0.297977 0.5 ] [ 0.797977 0 0.5 ] [ 0 0.702023 0 ] [ 0 0 0.297977 ] [ 0.75 0.75 0.25 ] [ 0 0.5 0.5 ] [ 0.75 0.25 0.452023 ] [ 0.25 0.952023 0.25 ] [ 0.75 0.547977 0.75 ] [ 0.952023 0.25 0.25 ] [ 0.047977 0.25 0.75 ] [ 0.5 0.5 0.702023 ] [ 0.25 0.25 0.547977 ] [ 0.702023 0.5 0.5 ] [ 0.5 0.797977 0 ] [ 0.797977 0.5 0 ] [ 0 0.202023 0.5 ] [ 0 0.5 0.797977 ] [ 0.75 0.25 0.75 ] [ 0.5 0 0.5 ] [ 0.25 0.75 0.452023 ] [ 0.75 0.452023 0.25 ] [ 0.25 0.047977 0.75 ] [ 0.452023 0.75 0.25 ] [ 0.547977 0.75 0.75 ] [ 0 0 0.702023 ] [ 0.75 0.75 0.547977 ] [ 0.202023 0 0.5 ] [ 0 0.297977 0 ] [ 0.297977 0 0 ] [ 0.5 0.702023 0.5 ] [ 0.5 0 0.797977 ] [ 0.25 0.75 0.75 ] [ 0.5 0.5 0 ] [ 0.25 0.25 0.952023 ] [ 0.75 0.952023 0.75 ] [ 0.25 0.547977 0.25 ] [ 0.452023 0.25 0.75 ] [ 0.547977 0.25 0.25 ] [ 0 0.5 0.202023 ] [ 0.75 0.25 0.047977 ] [ 0.202023 0.5 0 ] [ 0 0.797977 0.5 ] [ 0.297977 0.5 0.5 ] [ 0.5 0.202023 0 ] [ 0.5 0.5 0.297977 ] [ 0.25 0.25 0.25 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "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" "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" 9.24234783 "source-unit" "angstrom" } }