{ "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" [ [ 0.747192 0.75 0.443933 ] [ 0.252808 0.25 0.556067 ] [ 0.740141 0.75 0.957907 ] [ 0.259859 0.25 0.042093 ] [ 0.753545 0.25 0.67341 ] [ 0.246455 0.75 0.32659 ] [ 0.56796 0.25 0.822062 ] [ 0.43204 0.75 0.177938 ] [ 0.390186 0.75 0.556703 ] [ 0.609814 0.25 0.443297 ] [ 0.993225 0.509356 0.72027 ] [ 0.006775 0.009356 0.27973 ] [ 0.993225 0.990644 0.72027 ] [ 0.006775 0.490644 0.27973 ] ] } "species" { "source-value" [ "Yb" "Yb" "K" "K" "Si" "Si" "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" 6.90721562895 "source-unit" "angstrom" } "b" { "source-value" 5.65791359 "source-unit" "angstrom" } "c" { "source-value" 9.16616038629 "source-unit" "angstrom" } "beta" { "source-value" 104.313038474 "source-unit" "degree" } }