{ "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" [ [ 0.21057 0.5 0.692404 ] [ 0.78943 0.5 0.307596 ] [ 0.71057 0 0.692404 ] [ 0.28943 0 0.307596 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.132644 0.5 0.994633 ] [ 0.867356 0.5 0.005367 ] [ 0.889463 0 0.603842 ] [ 0.110537 0 0.396158 ] [ 0.632644 0 0.994633 ] [ 0.367356 0 0.005367 ] [ 0.389463 0.5 0.603842 ] [ 0.610537 0.5 0.396158 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Sn" "Sn" "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" 13.92126413 "source-unit" "angstrom" } "b" { "source-value" 3.95962319 "source-unit" "angstrom" } "c" { "source-value" 7.14332354 "source-unit" "angstrom" } "beta" { "source-value" 119.66964088 "source-unit" "degree" } }