{ "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" [ [ 0.251992 0.926962 0.140746 ] [ 0.748008 0.426962 0.359254 ] [ 0.748008 0.073038 0.859254 ] [ 0.251992 0.573038 0.640746 ] [ 0.19731 0.639986 0.089802 ] [ 0.80269 0.139986 0.410198 ] [ 0.80269 0.360014 0.910198 ] [ 0.19731 0.860014 0.589802 ] [ 0.298931 0.43156 0.480102 ] [ 0.701069 0.93156 0.019898 ] [ 0.701069 0.56844 0.519898 ] [ 0.298931 0.06844 0.980102 ] [ 0.416853 0.570879 0.797992 ] [ 0.583147 0.070879 0.702008 ] [ 0.583147 0.429121 0.202008 ] [ 0.416853 0.929121 0.297992 ] [ 0.095008 0.428682 0.695522 ] [ 0.904992 0.928682 0.804478 ] [ 0.904992 0.571318 0.304478 ] [ 0.095008 0.071318 0.195522 ] ] } "species" { "source-value" [ "Ge" "Ge" "Ge" "Ge" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.5836498022 "source-unit" "angstrom" } "b" { "source-value" 7.02817805 "source-unit" "angstrom" } "c" { "source-value" 10.6744592485 "source-unit" "angstrom" } "beta" { "source-value" 102.832511789 "source-unit" "degree" } }