{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.36771 0.25 0.826354 ] [ 0.63229 0.75 0.173646 ] [ 0.676699 0.25 0.430724 ] [ 0.210554 0.75 0.864702 ] [ 0.323301 0.75 0.569276 ] [ 0.789446 0.25 0.135298 ] [ 0.556136 0.25 0.018439 ] [ 0.443864 0.75 0.981561 ] [ 0.145211 0.75 0.65982 ] [ 0.854789 0.25 0.34018 ] [ 0.433127 0.25 0.349016 ] [ 0.566873 0.75 0.650984 ] [ 0.043487 0.893135 0.878272 ] [ 0.757239 0.10736 0.564044 ] [ 0.596422 0.894112 0.257119 ] [ 0.403578 0.105888 0.742881 ] [ 0.150142 0.25 0.842958 ] [ 0.956513 0.106865 0.121728 ] [ 0.956513 0.393135 0.121728 ] [ 0.242761 0.89264 0.435956 ] [ 0.849858 0.75 0.157042 ] [ 0.043487 0.606865 0.878272 ] [ 0.757239 0.39264 0.564044 ] [ 0.403578 0.394112 0.742881 ] [ 0.242761 0.60736 0.435956 ] [ 0.596422 0.605888 0.257119 ] ] } "species" { "source-value" [ "B" "B" "S" "S" "S" "S" "N" "N" "N" "N" "O" "O" "F" "F" "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" 6.13989721012 "source-unit" "angstrom" } "b" { "source-value" 8.04132507 "source-unit" "angstrom" } "c" { "source-value" 8.24889474081 "source-unit" "angstrom" } "beta" { "source-value" 110.542839385 "source-unit" "degree" } }