{ "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" [ [ 0.23694 0.75 0.082344 ] [ 0.748134 0.99158 0.26248 ] [ 0.748134 0.50842 0.26248 ] [ 0.251866 0.49158 0.73752 ] [ 0.251866 0.00842 0.73752 ] [ 0.76306 0.25 0.917656 ] [ 0.213262 0.25 0.331536 ] [ 0.786738 0.75 0.668464 ] [ 0.286135 0.75 0.431285 ] [ 0.713865 0.25 0.568715 ] [ 0.267752 0.25 0.069024 ] [ 0.732248 0.75 0.930976 ] [ 0.701149 0.75 0.077933 ] [ 0.032513 0.25 0.138384 ] [ 0.464699 0.25 0.179685 ] [ 0.220381 0.949907 0.315905 ] [ 0.220381 0.550093 0.315905 ] [ 0.596004 0.75 0.477481 ] [ 0.88828 0.25 0.423094 ] [ 0.11172 0.75 0.576906 ] [ 0.403996 0.25 0.522519 ] [ 0.779619 0.449907 0.684095 ] [ 0.779619 0.050093 0.684095 ] [ 0.535301 0.75 0.820315 ] [ 0.967487 0.75 0.861616 ] [ 0.298851 0.25 0.922067 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Co" "Co" "Si" "Si" "B" "B" "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" 5.19941337 "source-unit" "angstrom" } "b" { "source-value" 6.33323438 "source-unit" "angstrom" } "c" { "source-value" 8.97177432 "source-unit" "angstrom" } "beta" { "source-value" 92.22305171 "source-unit" "degree" } }