{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_32_12" } "basis-atom-coordinates" { "source-value" [ [ 0.753798 0.995877 0.363039 ] [ 0.004123 0.246202 0.136961 ] [ 0.504123 0.253798 0.613039 ] [ 0.253798 0.504123 0.386961 ] [ 0.746202 0.495877 0.886961 ] [ 0.495877 0.746202 0.113039 ] [ 0.995877 0.753798 0.636961 ] [ 0.246202 0.004123 0.863039 ] [ 0.719577 0.032545 0.841929 ] [ 0.967455 0.280423 0.658071 ] [ 0.467455 0.219577 0.091929 ] [ 0.219577 0.467455 0.908071 ] [ 0.780423 0.532545 0.408071 ] [ 0.532545 0.780423 0.591929 ] [ 0.032545 0.719577 0.158071 ] [ 0.280423 0.967455 0.341929 ] [ 0.366707 0.871612 0.506272 ] [ 0.387419 0.387419 0 ] [ 0.371612 0.133293 0.256272 ] [ 0.871612 0.366707 0.493728 ] [ 0.887419 0.112581 0.75 ] [ 0.866707 0.628388 0.243728 ] [ 0.133293 0.371612 0.743728 ] [ 0.112581 0.887419 0.25 ] [ 0.128388 0.633293 0.993728 ] [ 0.628388 0.866707 0.756272 ] [ 0.612581 0.612581 0.5 ] [ 0.633293 0.128388 0.006272 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "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" 7.5776116 "source-unit" "angstrom" } "c" { "source-value" 7.39162642 "source-unit" "angstrom" } }