{ "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 0 0 ] [ 0.034378 0 0.668962 ] [ 0.965622 0 0.331038 ] [ 0.501602 0 0.844316 ] [ 0.498398 0 0.155684 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0.534378 0.5 0.668962 ] [ 0.465622 0.5 0.331038 ] [ 0.001602 0.5 0.844316 ] [ 0.998398 0.5 0.155684 ] [ 0 0.5 0.5 ] [ 0.697786 0 0.99326 ] [ 0.683062 0 0.324695 ] [ 0.302214 0 0.00674 ] [ 0.316938 0 0.675305 ] [ 0.197786 0.5 0.99326 ] [ 0.183062 0.5 0.324695 ] [ 0.802214 0.5 0.00674 ] [ 0.816938 0.5 0.675305 ] [ 0.005021 0.193426 0.832188 ] [ 0.994979 0.193426 0.167812 ] [ 0 0.193249 0.5 ] [ 0.719277 0 0.669886 ] [ 0.280723 0 0.330114 ] [ 0.005021 0.806574 0.832188 ] [ 0.994979 0.806574 0.167812 ] [ 0 0.806751 0.5 ] [ 0.505021 0.693426 0.832188 ] [ 0.494979 0.693426 0.167812 ] [ 0.5 0.693249 0.5 ] [ 0.219277 0.5 0.669886 ] [ 0.780723 0.5 0.330114 ] [ 0.505021 0.306574 0.832188 ] [ 0.494979 0.306574 0.167812 ] [ 0.5 0.306751 0.5 ] ] } "species" { "source-value" [ "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "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" 6.42857143 "source-unit" "angstrom" } "b" { "source-value" 6.95088828 "source-unit" "angstrom" } "c" { "source-value" 9.23124532 "source-unit" "angstrom" } "beta" { "source-value" 91.20007447 "source-unit" "degree" } }