{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.76414 0.25 0.086902 ] [ 0.24679 0.012838 0.255426 ] [ 0.24679 0.487162 0.255426 ] [ 0.75321 0.512838 0.744574 ] [ 0.75321 0.987162 0.744574 ] [ 0.23586 0.75 0.913098 ] [ 0.705526 0.25 0.403529 ] [ 0.294474 0.75 0.596471 ] [ 0.77317 0.75 0.366301 ] [ 0.22683 0.25 0.633699 ] [ 0.732455 0.75 0.051808 ] [ 0.267545 0.25 0.948192 ] [ 0.282064 0.25 0.084953 ] [ 0.95519 0.75 0.115838 ] [ 0.52344 0.75 0.126406 ] [ 0.804055 0.068007 0.313754 ] [ 0.804055 0.431993 0.313754 ] [ 0.389885 0.25 0.408339 ] [ 0.195657 0.75 0.426245 ] [ 0.804343 0.25 0.573755 ] [ 0.610115 0.75 0.591661 ] [ 0.195945 0.568007 0.686246 ] [ 0.195945 0.931993 0.686246 ] [ 0.47656 0.25 0.873594 ] [ 0.04481 0.25 0.884162 ] [ 0.717936 0.75 0.915047 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Si" "Si" "Bi" "Bi" "C" "C" "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" 5.23394027 "source-unit" "angstrom" } "b" { "source-value" 7.20646551 "source-unit" "angstrom" } "c" { "source-value" 9.4221404 "source-unit" "angstrom" } "beta" { "source-value" 90.65036627 "source-unit" "degree" } }