{ "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" [ [ 0.220053 0.348033 0.927601 ] [ 0.220053 0.151967 0.427601 ] [ 0.779947 0.848033 0.572399 ] [ 0.779947 0.651967 0.072399 ] [ 0.301894 0.506868 0.502797 ] [ 0.698106 0.006868 0.997203 ] [ 0.301894 0.993132 0.002797 ] [ 0.698106 0.493132 0.497203 ] [ 0 0.5 0.5 ] [ 0 0 0 ] [ 0.39581 0.949303 0.808049 ] [ 0.60419 0.449303 0.691951 ] [ 0.39581 0.550697 0.308049 ] [ 0.60419 0.050697 0.191951 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "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" 4.9780124 "source-unit" "angstrom" } "b" { "source-value" 8.81559538 "source-unit" "angstrom" } "c" { "source-value" 6.58790908 "source-unit" "angstrom" } "beta" { "source-value" 114.71422303 "source-unit" "degree" } }