{ "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" [ [ 0.762595 0.986372 0.242705 ] [ 0.762595 0.513628 0.242705 ] [ 0.237405 0.486372 0.757295 ] [ 0.237405 0.013628 0.757295 ] [ 0.209623 0.25 0.342302 ] [ 0.790377 0.75 0.657698 ] [ 0.288344 0.75 0.432326 ] [ 0.711656 0.25 0.567674 ] [ 0.274405 0.25 0.079999 ] [ 0.725595 0.75 0.920001 ] [ 0.695678 0.75 0.056177 ] [ 0.049658 0.25 0.142193 ] [ 0.465066 0.25 0.181243 ] [ 0.214766 0.954445 0.325317 ] [ 0.214766 0.545555 0.325317 ] [ 0.872895 0.25 0.41503 ] [ 0.604315 0.75 0.469925 ] [ 0.395685 0.25 0.530075 ] [ 0.127105 0.75 0.58497 ] [ 0.785234 0.454445 0.674683 ] [ 0.785234 0.045555 0.674683 ] [ 0.534934 0.75 0.818757 ] [ 0.950342 0.75 0.857807 ] [ 0.304322 0.25 0.943823 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Co" "Co" "Si" "Si" "C" "C" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.15538396 "source-unit" "angstrom" } "b" { "source-value" 6.33386164 "source-unit" "angstrom" } "c" { "source-value" 9.01975989 "source-unit" "angstrom" } "beta" { "source-value" 92.10423371 "source-unit" "degree" } }