{ "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" [ [ 0.246918 0.75 0.09946 ] [ 0.742162 0.003071 0.244981 ] [ 0.742162 0.496929 0.244981 ] [ 0.257838 0.503071 0.755019 ] [ 0.257838 0.996929 0.755019 ] [ 0.753082 0.25 0.90054 ] [ 0.199597 0.25 0.318822 ] [ 0.800403 0.75 0.681178 ] [ 0.28364 0.75 0.427592 ] [ 0.71636 0.25 0.572408 ] [ 0.2795 0.25 0.039294 ] [ 0.7205 0.75 0.960706 ] [ 0.649353 0.75 0.111775 ] [ 0.024552 0.25 0.089394 ] [ 0.47237 0.25 0.172658 ] [ 0.1904 0.947711 0.305546 ] [ 0.1904 0.552289 0.305546 ] [ 0.603256 0.75 0.469661 ] [ 0.861985 0.25 0.405975 ] [ 0.138015 0.75 0.594025 ] [ 0.396744 0.25 0.530339 ] [ 0.8096 0.447711 0.694454 ] [ 0.8096 0.052289 0.694454 ] [ 0.52763 0.75 0.827342 ] [ 0.975448 0.75 0.910606 ] [ 0.350647 0.25 0.888225 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Cr" "Cr" "Si" "Si" "B" "B" "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" 5.07637238 "source-unit" "angstrom" } "b" { "source-value" 6.28447469 "source-unit" "angstrom" } "c" { "source-value" 8.38876321 "source-unit" "angstrom" } "beta" { "source-value" 94.83711569 "source-unit" "degree" } }