{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.617843 0.874579 0.847549 ] [ 0.882157 0.374579 0.652451 ] [ 0.117843 0.625421 0.347549 ] [ 0.382157 0.125421 0.152451 ] [ 0.529011 0.531808 0.377546 ] [ 0.470989 0.468192 0.622454 ] [ 0.029011 0.968192 0.877546 ] [ 0.970989 0.031808 0.122454 ] [ 0.794735 0.340159 0.847535 ] [ 0.430236 0.305639 0.056002 ] [ 0.380145 0.019233 0.793057 ] [ 0.069764 0.805639 0.443998 ] [ 0.205265 0.659841 0.152465 ] [ 0.119855 0.519233 0.706943 ] [ 0.930236 0.194361 0.556002 ] [ 0.569764 0.694361 0.943998 ] [ 0.619855 0.980767 0.206943 ] [ 0.705265 0.840159 0.652465 ] [ 0.294735 0.159841 0.347535 ] [ 0.880145 0.480767 0.293057 ] [ 0.152204 0.045932 0.045744 ] [ 0.652204 0.454068 0.545744 ] [ 0.347796 0.545932 0.454256 ] [ 0.847796 0.954068 0.954256 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Se" "Se" "Se" "Se" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.68470865238 "source-unit" "angstrom" } "b" { "source-value" 10.85784945 "source-unit" "angstrom" } "c" { "source-value" 10.1869698878 "source-unit" "angstrom" } "beta" { "source-value" 110.798957201 "source-unit" "degree" } }