{ "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" [ [ 0.235857 0.75 0.080843 ] [ 0.745701 0.992317 0.265393 ] [ 0.745701 0.507683 0.265393 ] [ 0.254299 0.492317 0.734607 ] [ 0.254299 0.007683 0.734607 ] [ 0.764143 0.25 0.919157 ] [ 0.216403 0.25 0.338021 ] [ 0.783597 0.75 0.661979 ] [ 0.268379 0.25 0.070349 ] [ 0.731621 0.75 0.929651 ] [ 0.283277 0.75 0.420248 ] [ 0.716723 0.25 0.579752 ] [ 0.707496 0.75 0.081063 ] [ 0.03199 0.25 0.145118 ] [ 0.469925 0.25 0.181289 ] [ 0.225529 0.93008 0.319711 ] [ 0.225529 0.56992 0.319711 ] [ 0.580616 0.75 0.468972 ] [ 0.874976 0.25 0.432327 ] [ 0.125024 0.75 0.567673 ] [ 0.419384 0.25 0.531028 ] [ 0.774471 0.43008 0.680289 ] [ 0.774471 0.06992 0.680289 ] [ 0.530075 0.75 0.818711 ] [ 0.96801 0.75 0.854882 ] [ 0.292504 0.25 0.918937 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Co" "Co" "B" "B" "P" "P" "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" 5.14927741 "source-unit" "angstrom" } "b" { "source-value" 6.90542722 "source-unit" "angstrom" } "c" { "source-value" 8.77651859 "source-unit" "angstrom" } "beta" { "source-value" 91.92821289 "source-unit" "degree" } }