{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc" } "basis-atom-coordinates" { "source-value" [ [ 0.00233 0.048406 0.663731 ] [ 0.749327 0.552098 0.074871 ] [ 0.749327 0.447902 0.574871 ] [ 0.00233 0.951594 0.163731 ] [ 0.249555 0.954978 0.925776 ] [ 0.249555 0.045022 0.425776 ] [ 0.497974 0.052626 0.664421 ] [ 0.497974 0.947374 0.164421 ] [ 0.503493 0.558144 0.836108 ] [ 0.503493 0.441856 0.336108 ] [ 0.992499 0.451276 0.327265 ] [ 0.992499 0.548724 0.827265 ] [ 0.25621 0.446743 0.088503 ] [ 0.745842 0.056749 0.913529 ] [ 0.25621 0.553257 0.588503 ] [ 0.745842 0.943251 0.413529 ] [ 0.262764 0.556346 0.953573 ] [ 0.955521 0.02891 0.343513 ] [ 0.045524 0.444433 0.650508 ] [ 0.045524 0.555567 0.150508 ] [ 0.747586 0.948079 0.048649 ] [ 0.25092 0.139854 0.088638 ] [ 0.25092 0.860146 0.588638 ] [ 0.262764 0.443654 0.453573 ] [ 0.458866 0.453251 0.661642 ] [ 0.458866 0.546749 0.161642 ] [ 0.542549 0.955522 0.841215 ] [ 0.542549 0.044478 0.341215 ] [ 0.73904 0.364491 0.918058 ] [ 0.73904 0.635509 0.418058 ] [ 0.747586 0.051921 0.548649 ] [ 0.955521 0.97109 0.843513 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cu" "Cu" "P" "P" "P" "P" "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" 6.17498462236 "source-unit" "angstrom" } "b" { "source-value" 5.08058054 "source-unit" "angstrom" } "c" { "source-value" 10.751364116 "source-unit" "angstrom" } "beta" { "source-value" 90.5274579303 "source-unit" "degree" } }