{ "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" [ [ 0.231296 0.007306 0.220746 ] [ 0.231296 0.492694 0.220746 ] [ 0.768704 0.507306 0.779254 ] [ 0.768704 0.992694 0.779254 ] [ 0.709621 0.25 0.416333 ] [ 0.290379 0.75 0.583667 ] [ 0.785331 0.75 0.365926 ] [ 0.214669 0.25 0.634074 ] [ 0.727998 0.75 0.068295 ] [ 0.272002 0.25 0.931705 ] [ 0.295511 0.25 0.065973 ] [ 0.947958 0.75 0.135248 ] [ 0.531144 0.75 0.15331 ] [ 0.824512 0.064801 0.329697 ] [ 0.824512 0.435199 0.329697 ] [ 0.19791 0.75 0.412206 ] [ 0.401015 0.25 0.412018 ] [ 0.598985 0.75 0.587982 ] [ 0.80209 0.25 0.587794 ] [ 0.175488 0.564801 0.670303 ] [ 0.175488 0.935199 0.670303 ] [ 0.468856 0.25 0.84669 ] [ 0.052042 0.25 0.864752 ] [ 0.704489 0.75 0.934027 ] ] } "species" { "source-value" [ "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" 5.35767836 "source-unit" "angstrom" } "b" { "source-value" 6.95585446 "source-unit" "angstrom" } "c" { "source-value" 9.31155999 "source-unit" "angstrom" } "beta" { "source-value" 91.17710683 "source-unit" "degree" } }