{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.837607 0 0.47991 ] [ 0.48254 0 0.841152 ] [ 0.322095 0.923106 0.303818 ] [ 0.322095 0.076894 0.303818 ] [ 0.166019 0.882228 0.774228 ] [ 0.166019 0.117772 0.774228 ] [ 0.7984 0.877097 0.178045 ] [ 0.7984 0.122903 0.178045 ] [ 0.29488 0.764834 0.405212 ] [ 0.29488 0.235166 0.405212 ] [ 0.458407 0.750209 0.914709 ] [ 0.458407 0.249791 0.914709 ] [ 0.337607 0.5 0.47991 ] [ 0.98254 0.5 0.841152 ] [ 0.822095 0.423106 0.303818 ] [ 0.822095 0.576894 0.303818 ] [ 0.666019 0.382228 0.774228 ] [ 0.666019 0.617772 0.774228 ] [ 0.2984 0.377097 0.178045 ] [ 0.2984 0.622903 0.178045 ] [ 0.79488 0.264834 0.405212 ] [ 0.79488 0.735166 0.405212 ] [ 0.958407 0.250209 0.914709 ] [ 0.958407 0.749791 0.914709 ] [ 0.993513 0 0.997496 ] [ 0.651268 0.862581 0.656408 ] [ 0.651268 0.137419 0.656408 ] [ 0.493513 0.5 0.997496 ] [ 0.151268 0.362581 0.656408 ] [ 0.151268 0.637419 0.656408 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.27677576165 "source-unit" "angstrom" } "b" { "source-value" 17.8416846091 "source-unit" "angstrom" } "c" { "source-value" 5.23831334159 "source-unit" "angstrom" } "beta" { "source-value" 99.9771058887 "source-unit" "degree" } }