[ { "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" 3.2091024518013 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.2091024518013e-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" 729.988052516167 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725997234 "si-unit" "kg / m s^2" "si-value" 729988052516.167 } "c12" { "source-value" 546.7240516406256 "source-unit" "GPa" "source-std-uncert-value" 0.00518728636245631 "si-unit" "kg / m s^2" "si-value" 546724051640.6256 } "c44" { "source-value" 547.6738601717105 "source-unit" "GPa" "source-std-uncert-value" 0.001833982682094146 "si-unit" "kg / m s^2" "si-value" 547673860171.7106 } "excess" { "source-value" 1.065814103640385e-08 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 10.65814103640385 } } { "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" 3.2091024518013 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.2091024518013e-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" 607.8120519324727 "source-unit" "GPa" "source-std-uncert-value" 0.004235401579296048 "si-unit" "kg / m s^2" "si-value" 607812051932.4728 } } ]