{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.5 ] [ 0.75 0.75 0 ] [ 0.75 0.25 0.5 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0.25 0.25 0 ] [ 0.25 0.75 0.5 ] [ 0 0.5 0 ] [ 0.25 0.25 0.5 ] [ 0.75 0.25 0 ] [ 0.75 0.75 0.5 ] [ 0.25 0.75 0 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.766142 0.010503 0.023317 ] [ 0.480003 0.259839 0.486528 ] [ 0.980003 0.240161 0.986528 ] [ 0.766142 0.989497 0.523317 ] [ 0.233858 0.010503 0.476683 ] [ 0.019997 0.759839 0.013472 ] [ 0.519997 0.740161 0.513472 ] [ 0.233858 0.989497 0.976683 ] [ 0.266142 0.510503 0.023317 ] [ 0.980003 0.759839 0.486528 ] [ 0.480003 0.740161 0.986528 ] [ 0.266142 0.489497 0.523317 ] [ 0.733858 0.510503 0.476683 ] [ 0.519997 0.259839 0.013472 ] [ 0.019997 0.240161 0.513472 ] [ 0.733858 0.489497 0.976683 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Co" "Co" "Co" "Co" "O" "O" "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" 8.33130314 "source-unit" "angstrom" } "b" { "source-value" 8.11378992 "source-unit" "angstrom" } "c" { "source-value" 6.05196625 "source-unit" "angstrom" } "beta" { "source-value" 132.83751805 "source-unit" "degree" } }