{ "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" [ [ 0.973232 0.5 0.261874 ] [ 0.026768 0.5 0.738126 ] [ 0.473232 0 0.261874 ] [ 0.526768 0 0.738126 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.693196 0.5 0.630188 ] [ 0.306804 0.5 0.369812 ] [ 0.193196 0 0.630188 ] [ 0.806804 0 0.369812 ] [ 0.101475 0 0.379014 ] [ 0.254662 0.280456 0.237307 ] [ 0.745338 0.280456 0.762693 ] [ 0.898525 0 0.620986 ] [ 0.254662 0.719544 0.237307 ] [ 0.745338 0.719544 0.762693 ] [ 0.601475 0.5 0.379014 ] [ 0.754662 0.780456 0.237307 ] [ 0.245338 0.780456 0.762693 ] [ 0.398525 0.5 0.620986 ] [ 0.754662 0.219544 0.237307 ] [ 0.245338 0.219544 0.762693 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ca" "Ca" "B" "B" "B" "B" "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" 12.1803151208 "source-unit" "angstrom" } "b" { "source-value" 5.4925902533 "source-unit" "angstrom" } "c" { "source-value" 8.73029291486 "source-unit" "angstrom" } "beta" { "source-value" 147.227297253 "source-unit" "degree" } }