{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cc" } "basis-atom-coordinates" { "source-value" [ [ 0.045696 0.846687 0.956121 ] [ 0.045696 0.153313 0.456121 ] [ 0.545696 0.346687 0.956121 ] [ 0.545696 0.653313 0.456121 ] [ 0.477167 0.981222 0.560907 ] [ 0.477167 0.018778 0.060907 ] [ 0.731751 0.132037 0.872806 ] [ 0.731751 0.867963 0.372806 ] [ 0.977167 0.481222 0.560907 ] [ 0.977167 0.518778 0.060907 ] [ 0.231751 0.632037 0.872806 ] [ 0.231751 0.367963 0.372806 ] [ 0.301768 0.988739 0.748435 ] [ 0.571435 0.133659 0.060212 ] [ 0.919658 0.78561 0.418407 ] [ 0.919658 0.21439 0.918407 ] [ 0.727926 0.049812 0.665191 ] [ 0.727926 0.950188 0.165191 ] [ 0.571435 0.866341 0.560212 ] [ 0.301768 0.011261 0.248435 ] [ 0.801768 0.488739 0.748435 ] [ 0.071435 0.633659 0.060212 ] [ 0.419658 0.28561 0.418407 ] [ 0.419658 0.71439 0.918407 ] [ 0.227926 0.549812 0.665191 ] [ 0.227926 0.450188 0.165191 ] [ 0.071435 0.366341 0.560212 ] [ 0.801768 0.511261 0.248435 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "B" "B" "B" "B" "B" "B" "B" "B" "S" "S" "S" "S" "S" "S" "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" 6.82463491711 "source-unit" "angstrom" } "b" { "source-value" 15.991064339 "source-unit" "angstrom" } "c" { "source-value" 6.06975875015 "source-unit" "angstrom" } "beta" { "source-value" 109.790220571 "source-unit" "degree" } }