{ "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" [ [ 0.120767 0.458062 0.619146 ] [ 0.224891 0.969764 0.605079 ] [ 0.511399 0.21923 0.026001 ] [ 0.120767 0.041938 0.119146 ] [ 0.224891 0.530236 0.105079 ] [ 0.488601 0.71923 0.473999 ] [ 0.511399 0.28077 0.526001 ] [ 0.775109 0.469764 0.894921 ] [ 0.879233 0.958062 0.880854 ] [ 0.488601 0.78077 0.973999 ] [ 0.775109 0.030236 0.394921 ] [ 0.879233 0.541938 0.380854 ] [ 0.883486 0.706931 0.750962 ] [ 0.883486 0.793069 0.250962 ] [ 0.116514 0.206931 0.749038 ] [ 0.116514 0.293069 0.249038 ] [ 0.068398 0.646388 0.569243 ] [ 0.298888 0.593827 0.908449 ] [ 0.068398 0.853612 0.069243 ] [ 0.296046 0.876346 0.788099 ] [ 0.298888 0.906173 0.408449 ] [ 0.296046 0.623654 0.288099 ] [ 0.703954 0.376346 0.711901 ] [ 0.701112 0.093827 0.591551 ] [ 0.703954 0.123654 0.211901 ] [ 0.931602 0.146388 0.930757 ] [ 0.701112 0.406173 0.091551 ] [ 0.931602 0.353612 0.430757 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Bi" "Bi" "Bi" "Bi" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.01150483 "source-unit" "angstrom" } "b" { "source-value" 12.42914598 "source-unit" "angstrom" } "c" { "source-value" 12.1745915 "source-unit" "angstrom" } "beta" { "source-value" 103.96617271 "source-unit" "degree" } }