{ "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" [ [ 0.250638 0.75 0.093061 ] [ 0.747429 0.991731 0.236889 ] [ 0.747429 0.508269 0.236889 ] [ 0.252571 0.491731 0.763111 ] [ 0.252571 0.008269 0.763111 ] [ 0.749362 0.25 0.906939 ] [ 0.268733 0.75 0.419751 ] [ 0.731267 0.25 0.580249 ] [ 0.209411 0.25 0.327332 ] [ 0.790589 0.75 0.672668 ] [ 0.288704 0.25 0.034898 ] [ 0.711296 0.75 0.965102 ] [ 0.641672 0.75 0.114033 ] [ 0.033953 0.25 0.081353 ] [ 0.485623 0.25 0.164332 ] [ 0.167214 0.93972 0.304774 ] [ 0.167214 0.56028 0.304774 ] [ 0.591459 0.75 0.453364 ] [ 0.844542 0.25 0.407221 ] [ 0.155458 0.75 0.592779 ] [ 0.408541 0.25 0.546636 ] [ 0.832786 0.43972 0.695226 ] [ 0.832786 0.06028 0.695226 ] [ 0.514377 0.75 0.835668 ] [ 0.966047 0.75 0.918647 ] [ 0.358328 0.25 0.885967 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Si" "Si" "Sn" "Sn" "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" 5.13879536 "source-unit" "angstrom" } "b" { "source-value" 6.57489001 "source-unit" "angstrom" } "c" { "source-value" 8.5447995 "source-unit" "angstrom" } "beta" { "source-value" 95.43582554 "source-unit" "degree" } }