{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc" } "basis-atom-coordinates" { "source-value" [ [ 0.102828 0.304847 0.951934 ] [ 0.102828 0.695153 0.451934 ] [ 0.541876 0.509357 0.312698 ] [ 0.541876 0.490643 0.812698 ] [ 0.667934 0.853764 0.466327 ] [ 0.965894 0.45641 0.629796 ] [ 0.667934 0.146236 0.966327 ] [ 0.965894 0.54359 0.129796 ] [ 0.027601 0.940883 0.075239 ] [ 0.539546 0.807617 0.725621 ] [ 0.364847 0.143804 0.55443 ] [ 0.027601 0.059117 0.575239 ] [ 0.539546 0.192383 0.225621 ] [ 0.364847 0.856196 0.05443 ] [ 0.883631 0.400443 0.430965 ] [ 0.883631 0.599557 0.930965 ] [ 0.831653 0.801994 0.893312 ] [ 0.560681 0.23961 0.76293 ] [ 0.49592 0.072545 0.049111 ] [ 0.831653 0.198006 0.393312 ] [ 0.560681 0.76039 0.26293 ] [ 0.290504 0.749889 0.85797 ] [ 0.234959 0.551313 0.799362 ] [ 0.49592 0.927455 0.549111 ] [ 0.290504 0.250111 0.35797 ] [ 0.234959 0.448687 0.299362 ] [ 0.286164 0.112771 0.241048 ] [ 0.286164 0.887229 0.741048 ] [ 0.740218 0.622549 0.5557 ] [ 0.740218 0.377451 0.0557 ] [ 0.996844 0.770761 0.193558 ] [ 0.996844 0.229239 0.693558 ] ] } "species" { "source-value" [ "Sr" "Sr" "Al" "Al" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "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" 6.60251746 "source-unit" "angstrom" } "b" { "source-value" 7.11004439 "source-unit" "angstrom" } "c" { "source-value" 9.69953399 "source-unit" "angstrom" } "beta" { "source-value" 123.09537119 "source-unit" "degree" } }