{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.289027 0.75 0.358781 ] [ 0.710973 0.25 0.641219 ] [ 0.85562 0.75 0.771883 ] [ 0.14438 0.25 0.228117 ] [ 0.427959 0.845371 0.846714 ] [ 0.572041 0.345371 0.153286 ] [ 0.572041 0.154629 0.153286 ] [ 0.427959 0.654629 0.846714 ] [ 0.63455 0.75 0.442322 ] [ 0.36545 0.25 0.557678 ] [ 0.758858 0.880234 0.909067 ] [ 0.241142 0.380234 0.090933 ] [ 0.241142 0.119766 0.090933 ] [ 0.758858 0.619766 0.909067 ] [ 0.230753 0.880225 0.523951 ] [ 0.769247 0.380225 0.476049 ] [ 0.769247 0.119775 0.476049 ] [ 0.230753 0.619775 0.523951 ] ] } "species" { "source-value" [ "P" "P" "P" "P" "P" "P" "P" "P" "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" 6.79224065 "source-unit" "angstrom" } "b" { "source-value" 12.25714515 "source-unit" "angstrom" } "c" { "source-value" 7.16303265 "source-unit" "angstrom" } "beta" { "source-value" 117.17628059 "source-unit" "degree" } }