{ "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" [ [ 0.443292 0.993622 0.696828 ] [ 0.168494 0.838607 0.913924 ] [ 0.168494 0.661393 0.413924 ] [ 0.443292 0.506378 0.196828 ] [ 0.556708 0.493622 0.803172 ] [ 0.831506 0.338607 0.586076 ] [ 0.831506 0.161393 0.086076 ] [ 0.556708 0.006378 0.303172 ] [ 0.829458 0.776907 0.578431 ] [ 0.829458 0.723093 0.078431 ] [ 0.170542 0.276907 0.921569 ] [ 0.170542 0.223093 0.421569 ] [ 0.171393 0.993732 0.423046 ] [ 0.627843 0.809127 0.133536 ] [ 0.712158 0.811217 0.923035 ] [ 0.145529 0.798705 0.176052 ] [ 0.145529 0.701295 0.676052 ] [ 0.712158 0.688783 0.423035 ] [ 0.627843 0.690873 0.633536 ] [ 0.171393 0.506268 0.923046 ] [ 0.828607 0.493732 0.076954 ] [ 0.372157 0.309127 0.366464 ] [ 0.287842 0.311217 0.576965 ] [ 0.854471 0.298705 0.323948 ] [ 0.854471 0.201295 0.823948 ] [ 0.287842 0.188783 0.076965 ] [ 0.372157 0.190873 0.866464 ] [ 0.828607 0.006268 0.576954 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ge" "Ge" "Ge" "Ge" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.04681134 "source-unit" "angstrom" } "b" { "source-value" 7.70913888 "source-unit" "angstrom" } "c" { "source-value" 12.19412371 "source-unit" "angstrom" } "beta" { "source-value" 119.72292895 "source-unit" "degree" } }