{ "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" [ [ 0.745782 0.746754 0.036 ] [ 0.245782 0.753246 0.536 ] [ 0.754218 0.246754 0.464 ] [ 0.254218 0.253246 0.964 ] [ 0.042961 0.729174 0.840621 ] [ 0.542961 0.770826 0.340621 ] [ 0.457039 0.229174 0.659379 ] [ 0.957039 0.270826 0.159379 ] [ 0.462377 0.190446 0.223226 ] [ 0.537623 0.809554 0.776774 ] [ 0.962377 0.309554 0.723226 ] [ 0.037623 0.690446 0.276774 ] [ 0.636846 0.484554 0.645923 ] [ 0.620011 0.818844 0.22229 ] [ 0.363154 0.515446 0.354077 ] [ 0.863154 0.984554 0.854077 ] [ 0.120011 0.681156 0.72229 ] [ 0.318689 0.754637 0.91004 ] [ 0.681311 0.245363 0.08996 ] [ 0.379989 0.181156 0.77771 ] [ 0.181311 0.254637 0.58996 ] [ 0.818689 0.745363 0.41004 ] [ 0.851898 0.492208 0.865197 ] [ 0.648102 0.992208 0.634803 ] [ 0.148102 0.507792 0.134803 ] [ 0.136846 0.015446 0.145923 ] [ 0.351898 0.007792 0.365197 ] [ 0.879989 0.318844 0.27771 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Si" "Si" "Si" "Si" "Bi" "Bi" "Bi" "Bi" "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" 6.58470578908 "source-unit" "angstrom" } "b" { "source-value" 6.89040535 "source-unit" "angstrom" } "c" { "source-value" 17.335696809 "source-unit" "angstrom" } "beta" { "source-value" 93.1945928594 "source-unit" "degree" } }