[ { "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" [ "Na" "Na" "Na" "Na" ] } "a" { "source-value" 4.56586330384016 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.565863303840161e-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" 471.58436654203666 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725576319 "si-unit" "kg / m s^2" "si-value" 471584366542.0367 } "c12" { "source-value" 269.0596379746188 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863621364946 "si-unit" "kg / m s^2" "si-value" 269059637974.6188 } "c44" { "source-value" 269.6188642751453 "source-unit" "GPa" "source-std-uncert-value" 0.001833982681641221 "si-unit" "kg / m s^2" "si-value" 269618864275.1453 } "excess" { "source-value" 0.2675741400301132 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809134484 "si-unit" "kg / m s^2" "si-value" 267574140.0301132 } } { "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" [ "Na" "Na" "Na" "Na" ] } "a" { "source-value" 4.56586330384016 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.565863303840161e-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" 336.5678808304247 "source-unit" "GPa" "source-std-uncert-value" 0.004235401579040958 "si-unit" "kg / m s^2" "si-value" 336567880830.4247 } } ]