[ { "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" [ "Si" "Si" "Si" "Si" ] } "a" { "source-value" 3.84958603978157 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.84958603978157e-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" 173.52294960563611 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725090806 "si-unit" "kg / m s^2" "si-value" 173522949605.6361 } "c12" { "source-value" 177.8881727414864 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362031482 "si-unit" "kg / m s^2" "si-value" 177888172741.4864 } "c44" { "source-value" 34.40435339863915 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812580795 "si-unit" "kg / m s^2" "si-value" 34404353398.63915 } "excess" { "source-value" 2.8125649957176827e-09 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 2.812564995717683 } } { "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" [ "Si" "Si" "Si" "Si" ] } "a" { "source-value" 3.84958603978157 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.84958603978157e-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" 176.43309836286963 "source-unit" "GPa" "source-std-uncert-value" 0.00423540157889036 "si-unit" "kg / m s^2" "si-value" 176433098362.8696 } } ]