{ "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" [ [ 0.217196 0 0.740819 ] [ 0.782804 0 0.259181 ] [ 0 0.5 0.5 ] [ 0.717196 0.5 0.740819 ] [ 0.282804 0.5 0.259181 ] [ 0.5 0 0.5 ] [ 0.903403 0 0.74923 ] [ 0.096597 0 0.25077 ] [ 0.403403 0.5 0.74923 ] [ 0.596597 0.5 0.25077 ] [ 0.091435 0.5 0.920896 ] [ 0.908565 0.5 0.079104 ] [ 0.591435 0 0.920896 ] [ 0.408565 0 0.079104 ] [ 0.107911 0.5 0.092939 ] [ 0.917337 0.309457 0.163681 ] [ 0.082663 0.690543 0.836319 ] [ 0.082663 0.309457 0.836319 ] [ 0.917337 0.690543 0.163681 ] [ 0.892089 0.5 0.907061 ] [ 0.607911 0 0.092939 ] [ 0.417337 0.809457 0.163681 ] [ 0.582663 0.190543 0.836319 ] [ 0.582663 0.809457 0.836319 ] [ 0.417337 0.190543 0.163681 ] [ 0.392089 0 0.907061 ] [ 0.14974 0.764667 0.416196 ] [ 0.85026 0.764667 0.583804 ] [ 0.14974 0.235333 0.416196 ] [ 0.212473 0 0.129403 ] [ 0.85026 0.235333 0.583804 ] [ 0.787527 0 0.870597 ] [ 0 0 0.5 ] [ 0.64974 0.264667 0.416196 ] [ 0.35026 0.264667 0.583804 ] [ 0.64974 0.735333 0.416196 ] [ 0.712473 0.5 0.129403 ] [ 0.35026 0.735333 0.583804 ] [ 0.287527 0.5 0.870597 ] [ 0.5 0.5 0.5 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "Sb" "Sb" "Sb" "Sb" "N" "N" "N" "N" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 15.3199350341 "source-unit" "angstrom" } "b" { "source-value" 5.76673649881 "source-unit" "angstrom" } "c" { "source-value" 7.30705079379 "source-unit" "angstrom" } "beta" { "source-value" 91.5693079098 "source-unit" "degree" } }