[ { "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" [ "Ca" "Ca" "Ca" "Ca" ] } "a" { "source-value" 4.525483399629593 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.525483399629593e-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" 31.475288958015636 "source-unit" "GPa" "source-std-uncert-value" 0.0073359307248594225 "si-unit" "kg / m s^2" "si-value" 31475288958.01564 } "c12" { "source-value" 27.614111136393092 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361858396 "si-unit" "kg / m s^2" "si-value" 27614111136.39309 } "c44" { "source-value" 16.021603751770026 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812281358 "si-unit" "kg / m s^2" "si-value" 16021603751.77003 } "excess" { "source-value" 0.0024101917128765728 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132957 "si-unit" "kg / m s^2" "si-value" 2410191.712876573 } } { "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" [ "Ca" "Ca" "Ca" "Ca" ] } "a" { "source-value" 4.525483399629593 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.525483399629593e-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" 28.901170410267273 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578751613 "si-unit" "kg / m s^2" "si-value" 28901170410.26727 } } ]