[ { "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Be" "Be" "Be" "Be" ] } "a" { "source-value" 3.2962732315063477 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.296273231506348e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.5 0.5 ] [ 0.5 0.0 0.5 ] [ 0.5 0.5 0.0 ] ] } "space-group" { "source-value" "Fm-3m" } "temperature" { "source-value" 0 "source-unit" "K" "si-unit" "K" "si-value" 0.0 } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" "si-unit" "kg / m s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] } "c11" { "source-value" 422.50658733787174 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725496375 "si-unit" "kg / m s^2" "si-value" 422506587337.8718 } "c12" { "source-value" 278.13635104525713 "source-unit" "GPa" "source-std-uncert-value" 0.00518728636214695 "si-unit" "kg / m s^2" "si-value" 278136351045.2571 } "c44" { "source-value" 143.79383983878895 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826814362642 "si-unit" "kg / m s^2" "si-value" 143793839838.7889 } "excess" { "source-value" 0.29420441031534816 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809134635 "si-unit" "kg / m s^2" "si-value" 294204410.3153481 } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 2 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Be" "Be" "Be" "Be" ] } "a" { "source-value" 3.2962732315063477 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.296273231506348e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.5 0.5 ] [ 0.5 0.0 0.5 ] [ 0.5 0.5 0.0 ] ] } "space-group" { "source-value" "Fm-3m" } "temperature" { "source-value" 0 "source-unit" "K" "si-unit" "K" "si-value" 0.0 } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" "si-unit" "kg / m s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] } "isothermal-bulk-modulus" { "source-value" 326.2597631427953 "source-unit" "GPa" "source-std-uncert-value" 0.004235401579031264 "si-unit" "kg / m s^2" "si-value" 326259763142.7953 } } ]