{ "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" [ [ 0.981326 0.183334 0.681166 ] [ 0.981326 0.316666 0.181166 ] [ 0.018674 0.683334 0.818834 ] [ 0.018674 0.816666 0.318834 ] [ 0.119584 0.511357 0.558907 ] [ 0.119584 0.988643 0.058907 ] [ 0.880416 0.011357 0.941093 ] [ 0.880416 0.488643 0.441093 ] [ 0.194784 0.810673 0.66276 ] [ 0.194784 0.689327 0.16276 ] [ 0.237948 0.289994 0.529898 ] [ 0.443566 0.111241 0.668734 ] [ 0.237948 0.210006 0.029898 ] [ 0.443566 0.388759 0.168734 ] [ 0.556434 0.611241 0.831266 ] [ 0.762052 0.789994 0.970102 ] [ 0.556434 0.888759 0.331266 ] [ 0.762052 0.710006 0.470102 ] [ 0.805216 0.310673 0.83724 ] [ 0.805216 0.189327 0.33724 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.16779593 "source-unit" "angstrom" } "b" { "source-value" 14.8288524 "source-unit" "angstrom" } "c" { "source-value" 6.44514491 "source-unit" "angstrom" } "beta" { "source-value" 95.91730021 "source-unit" "degree" } }