{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.148812 0.460545 0.3711 ] [ 0.851188 0.960545 0.6289 ] [ 0.646929 0.539943 0.128201 ] [ 0.353071 0.039943 0.871799 ] [ 0.13098 0.645431 0.863643 ] [ 0.63157 0.353416 0.632545 ] [ 0.86902 0.145431 0.136357 ] [ 0.36843 0.853416 0.367455 ] [ 0.612161 0.13741 0.717896 ] [ 0.410084 0.330867 0.025816 ] [ 0.262729 0.290808 0.103587 ] [ 0.239449 0.205912 0.599269 ] [ 0.737271 0.790808 0.896413 ] [ 0.760551 0.705912 0.400731 ] [ 0.113004 0.86246 0.781109 ] [ 0.886996 0.36246 0.218891 ] [ 0.589916 0.830867 0.974184 ] [ 0.914828 0.674623 0.468379 ] [ 0.085172 0.174623 0.531621 ] [ 0.387839 0.63741 0.282104 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Br" "Br" "Br" "Br" "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" 7.37299384344 "source-unit" "angstrom" } "b" { "source-value" 7.7143079684 "source-unit" "angstrom" } "c" { "source-value" 7.4916315895 "source-unit" "angstrom" } "beta" { "source-value" 90.3105122895 "source-unit" "degree" } }