[ { "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" [ "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" 3.614959037303926 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.614959037303926e-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" 198.20611595382434 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725131011 "si-unit" "kg / m s^2" "si-value" 198206115953.8243 } "c12" { "source-value" 122.59769043808762 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361967798 "si-unit" "kg / m s^2" "si-value" 122597690438.0876 } "c44" { "source-value" 92.60978390218855 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813528904 "si-unit" "kg / m s^2" "si-value" 92609783902.18855 } "excess" { "source-value" 0.011471916453826404 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913301 "si-unit" "kg / m s^2" "si-value" 11471916.4538264 } } { "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" [ "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" 3.614959037303926 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.614959037303926e-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" 147.8004989433332 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578863432 "si-unit" "kg / m s^2" "si-value" 147800498943.3332 } } ]