{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.134527 0 0.071142 ] [ 0.865473 0 0.928858 ] [ 0.634527 0.5 0.071142 ] [ 0.365473 0.5 0.928858 ] [ 0.172054 0.5 0.593865 ] [ 0.827946 0.5 0.406135 ] [ 0 0 0.5 ] [ 0.672054 0 0.593865 ] [ 0.327946 0 0.406135 ] [ 0.5 0.5 0.5 ] [ 0.010913 0 0.733505 ] [ 0.810472 0.5 0.170487 ] [ 0.842435 0.5 0.636731 ] [ 0.989087 0 0.266495 ] [ 0.189528 0.5 0.829513 ] [ 0.157565 0.5 0.363269 ] [ 0.510913 0.5 0.733505 ] [ 0.310472 0 0.170487 ] [ 0.342435 0 0.636731 ] [ 0.489087 0.5 0.266495 ] [ 0.689528 0 0.829513 ] [ 0.657565 0 0.363269 ] ] } "species" { "source-value" [ "Sm" "Sm" "Sm" "Sm" "C" "C" "C" "C" "C" "C" "N" "N" "N" "N" "N" "N" "N" "N" "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" 14.7163407087 "source-unit" "angstrom" } "b" { "source-value" 3.92772890856 "source-unit" "angstrom" } "c" { "source-value" 5.31056730043 "source-unit" "angstrom" } "beta" { "source-value" 96.322829877 "source-unit" "degree" } }