{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ia3" } "basis-atom-coordinates" { "source-value" [ [ 0.36995 0.625865 0.878853 ] [ 0.63005 0.874135 0.878853 ] [ 0.874135 0.121147 0.86995 ] [ 0.13005 0.625865 0.121147 ] [ 0.13005 0.125865 0.878853 ] [ 0.878853 0.63005 0.874135 ] [ 0.878853 0.86995 0.374135 ] [ 0.125865 0.121147 0.36995 ] [ 0.121147 0.13005 0.625865 ] [ 0.374135 0.121147 0.63005 ] [ 0.125865 0.878853 0.13005 ] [ 0.121147 0.63005 0.374135 ] [ 0.86995 0.374135 0.878853 ] [ 0.625865 0.878853 0.36995 ] [ 0.625865 0.121147 0.13005 ] [ 0.374135 0.878853 0.86995 ] [ 0.63005 0.374135 0.121147 ] [ 0.121147 0.86995 0.874135 ] [ 0.86995 0.874135 0.121147 ] [ 0.878853 0.36995 0.625865 ] [ 0.874135 0.878853 0.63005 ] [ 0.121147 0.36995 0.125865 ] [ 0.36995 0.125865 0.121147 ] [ 0.878853 0.13005 0.125865 ] [ 0.86995 0.125865 0.378853 ] [ 0.13005 0.374135 0.378853 ] [ 0.374135 0.621147 0.36995 ] [ 0.63005 0.125865 0.621147 ] [ 0.63005 0.625865 0.378853 ] [ 0.378853 0.13005 0.374135 ] [ 0.378853 0.36995 0.874135 ] [ 0.625865 0.621147 0.86995 ] [ 0.621147 0.63005 0.125865 ] [ 0.874135 0.621147 0.13005 ] [ 0.625865 0.378853 0.63005 ] [ 0.621147 0.13005 0.874135 ] [ 0.36995 0.874135 0.378853 ] [ 0.125865 0.378853 0.86995 ] [ 0.125865 0.621147 0.63005 ] [ 0.874135 0.378853 0.36995 ] [ 0.13005 0.874135 0.621147 ] [ 0.621147 0.36995 0.374135 ] [ 0.36995 0.374135 0.621147 ] [ 0.378853 0.86995 0.125865 ] [ 0.374135 0.378853 0.13005 ] [ 0.621147 0.86995 0.625865 ] [ 0.86995 0.625865 0.621147 ] [ 0.378853 0.63005 0.625865 ] [ 0 0.25 0.994374 ] [ 0.5 0.75 0.994374 ] [ 0.75 0.994374 0.5 ] [ 0 0.75 0.005626 ] [ 0.994374 0.5 0.75 ] [ 0.25 0.994374 0 ] [ 0.994374 0 0.25 ] [ 0.25 0.005626 0.5 ] [ 0.005626 0 0.75 ] [ 0.75 0.75 0.75 ] [ 0.75 0.005626 0 ] [ 0.75 0.75 0.25 ] [ 0.005626 0.5 0.25 ] [ 0.5 0.25 0.005626 ] [ 0.75 0.25 0.75 ] [ 0.25 0.75 0.75 ] [ 0.5 0.75 0.494374 ] [ 0 0.25 0.494374 ] [ 0.25 0.494374 0 ] [ 0.5 0.25 0.505626 ] [ 0.494374 0 0.25 ] [ 0.75 0.494374 0.5 ] [ 0.494374 0.5 0.75 ] [ 0.75 0.505626 0 ] [ 0.505626 0.5 0.25 ] [ 0.25 0.25 0.25 ] [ 0.25 0.505626 0.5 ] [ 0.25 0.25 0.75 ] [ 0.505626 0 0.75 ] [ 0 0.75 0.505626 ] [ 0.25 0.75 0.25 ] [ 0.75 0.25 0.25 ] ] } "species" { "source-value" [ "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.1929526658 "source-unit" "angstrom" } "isothermal-bulk-modulus" { "source-value" 91.1815524487946 "source-unit" "GPa" "source-std-uncert-value" 0.0021423725739566635 } }