[ { "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" [ "Si" "Si" "Si" "Si" ] } "a" { "source-value" 4.227947190403939 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.22794719040394e-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" 90.49318228895093 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724955557 "si-unit" "kg / m s^2" "si-value" 90493182288.95093 } "c12" { "source-value" 171.67872450292987 "source-unit" "GPa" "source-std-uncert-value" 0.00518728636202433 "si-unit" "kg / m s^2" "si-value" 171678724502.9299 } "c44" { "source-value" 3.8937568053555367 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812083806 "si-unit" "kg / m s^2" "si-value" 3893756805.355536 } "excess" { "source-value" 1.7023419710922817e-09 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 1.702341971092282 } } { "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" [ "Si" "Si" "Si" "Si" ] } "a" { "source-value" 4.227947190403939 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.22794719040394e-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" 144.6168770982702 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578860438 "si-unit" "kg / m s^2" "si-value" 144616877098.2702 } } ]