{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.214537 0.354242 0.920685 ] [ 0.214537 0.145758 0.420685 ] [ 0.785463 0.854242 0.579315 ] [ 0.785463 0.645758 0.079315 ] [ 0.302827 0.509417 0.503822 ] [ 0.697173 0.009417 0.996178 ] [ 0.302827 0.990583 0.003822 ] [ 0.697173 0.490583 0.496178 ] [ 0 0.5 0.5 ] [ 0 0 0 ] [ 0.389155 0.958888 0.796936 ] [ 0.610845 0.458888 0.703064 ] [ 0.389155 0.541112 0.296936 ] [ 0.610845 0.041112 0.203064 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Be" "Be" "Be" "Be" "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" 4.95622946 "source-unit" "angstrom" } "b" { "source-value" 8.18779843 "source-unit" "angstrom" } "c" { "source-value" 6.43718525 "source-unit" "angstrom" } "beta" { "source-value" 115.03416593 "source-unit" "degree" } }