[ { "short-name" { "source-value" [ "sc" ] } "a" { "si-unit" "m" "source-unit" "angstrom" "si-value" 3.23671498895e-10 "source-value" 3.23671498895 } "temperature" { "si-unit" "K" "source-unit" "K" "si-value" 0.0 "source-value" 0 } "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "c44" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" -114432905632.0 "source-std-uncert-value" 0.0018339826813884384 "source-value" -114.43290563190715 } "space-group" { "source-value" "Pm-3m" } "excess" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" 4.4408920985 "source-std-uncert-value" 0.0025936431809132944 "source-value" 4.440892098501605e-09 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] ] } "c12" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" -130117406617.0 "source-std-uncert-value" 0.00518728636197646 "source-value" -130.11740661701313 } "c11" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" 1109840050890.0 "source-std-uncert-value" 0.007335930726615973 "source-value" 1109.8400508885297 } "cauchy-stress" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] "source-value" [ 0 0 0 0 0 0 ] } "species" { "source-value" [ "Sc" ] } "instance-id" 1 } { "short-name" { "source-value" [ "sc" ] } "a" { "si-unit" "m" "source-unit" "angstrom" "si-value" 3.23671498895e-10 "source-value" 3.23671498895 } "temperature" { "si-unit" "K" "source-unit" "K" "si-value" 0.0 "source-value" 0 } "isothermal-bulk-modulus" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" 283201745885.0 "source-std-uncert-value" 0.004235401579153928 "source-value" 283.2017458848345 } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "space-group" { "source-value" "Pm-3m" } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] ] } "cauchy-stress" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] "source-value" [ 0 0 0 0 0 0 ] } "species" { "source-value" [ "Sc" ] } "instance-id" 2 } ]