[ { "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" [ "N" "N" "N" "N" ] } "a" { "source-value" 3.060424253344536 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.060424253344536e-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" 621.313500909574 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725820213 "si-unit" "kg / m s^2" "si-value" 621313500909.574 } "c12" { "source-value" 806.1027362728623 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362755066 "si-unit" "kg / m s^2" "si-value" 806102736272.8623 } "c44" { "source-value" -87.55967945556297 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813446643 "si-unit" "kg / m s^2" "si-value" -87559679455.56297 } "excess" { "source-value" 5.8312317937268255e-05 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 58312.31793726826 } } { "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" [ "N" "N" "N" "N" ] } "a" { "source-value" 3.060424253344536 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.060424253344536e-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" 744.5063244850995 "source-unit" "GPa" "source-std-uncert-value" 0.004235401579424603 "si-unit" "kg / m s^2" "si-value" 744506324485.0995 } } ]