{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_13" } "basis-atom-coordinates" { "source-value" [ [ 0.161979 0.661979 0.838021 ] [ 0.661979 0.838021 0.161979 ] [ 0.838021 0.161979 0.661979 ] [ 0.338021 0.338021 0.338021 ] [ 0.848272 0.348272 0.151728 ] [ 0.348272 0.151728 0.848272 ] [ 0.151728 0.848272 0.348272 ] [ 0.651728 0.651728 0.651728 ] [ 0.44047 0.94047 0.55953 ] [ 0.94047 0.55953 0.44047 ] [ 0.55953 0.44047 0.94047 ] [ 0.05953 0.05953 0.05953 ] [ 0.574086 0.074086 0.425914 ] [ 0.074086 0.425914 0.574086 ] [ 0.425914 0.574086 0.074086 ] [ 0.925914 0.925914 0.925914 ] [ 0.264621 0.955616 0.081437 ] [ 0.918563 0.764621 0.544384 ] [ 0.455616 0.418563 0.735379 ] [ 0.764621 0.544384 0.918563 ] [ 0.418563 0.735379 0.455616 ] [ 0.955616 0.081437 0.264621 ] [ 0.735379 0.455616 0.418563 ] [ 0.081437 0.264621 0.955616 ] [ 0.544384 0.918563 0.764621 ] [ 0.235379 0.044384 0.581437 ] [ 0.581437 0.235379 0.044384 ] [ 0.044384 0.581437 0.235379 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Mg" "Mg" "Mg" "Mg" "Ni" "Ni" "Ni" "Ni" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.92001359161 "source-unit" "angstrom" } }