{ "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" [ [ 0.837628 0 0.331613 ] [ 0.815619 0 0.835229 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0.162372 0 0.668387 ] [ 0.184381 0 0.164771 ] [ 0.337628 0.5 0.331613 ] [ 0.315619 0.5 0.835229 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.662372 0.5 0.668387 ] [ 0.684381 0.5 0.164771 ] [ 0.3283 0.80513 0.837232 ] [ 0 0.80434 0.5 ] [ 0.410255 0 0.206575 ] [ 0.589745 0 0.793425 ] [ 0.3283 0.19487 0.837232 ] [ 0 0.19566 0.5 ] [ 0.1717 0.69487 0.162768 ] [ 0.1717 0.30513 0.162768 ] [ 0.8283 0.30513 0.837232 ] [ 0.5 0.30434 0.5 ] [ 0.910255 0.5 0.206575 ] [ 0.089745 0.5 0.793425 ] [ 0.8283 0.69487 0.837232 ] [ 0.5 0.69566 0.5 ] [ 0.6717 0.19487 0.162768 ] [ 0.6717 0.80513 0.162768 ] [ 0.74016 0 0.524235 ] [ 0.060205 0 0.857393 ] [ 0.939795 0 0.142607 ] [ 0.25984 0 0.475765 ] [ 0.24016 0.5 0.524235 ] [ 0.560205 0.5 0.857393 ] [ 0.439795 0.5 0.142607 ] [ 0.75984 0.5 0.475765 ] ] } "species" { "source-value" [ "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 8.81071467 "source-unit" "angstrom" } "b" { "source-value" 6.04870678 "source-unit" "angstrom" } "c" { "source-value" 7.03701366 "source-unit" "angstrom" } "beta" { "source-value" 112.93378538 "source-unit" "degree" } }