[ { "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "a" { "source-value" 6.198705762624741 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.198705762624741e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.25 0.25 0.25 ] [ 0.0 0.5 0.5 ] [ 0.25 0.75 0.75 ] [ 0.5 0.0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.5 0.5 0.0 ] [ 0.75 0.75 0.25 ] ] } "space-group" { "source-value" "Fd-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" 51.81377164906403 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724892553 "si-unit" "kg / m s^2" "si-value" 51813771649.06403 } "c12" { "source-value" 27.880201283642695 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361858702 "si-unit" "kg / m s^2" "si-value" 27880201283.6427 } "c44" { "source-value" 19699.98364435911 "source-unit" "GPa" "source-std-uncert-value" 0.001833982713291417 "si-unit" "kg / m s^2" "si-value" 19699983644359.11 } "excess" { "source-value" 5148.252032639971 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431838781957 "si-unit" "kg / m s^2" "si-value" 5148252032639.971 } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 2 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "a" { "source-value" 6.198705762624741 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.198705762624741e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.25 0.25 0.25 ] [ 0.0 0.5 0.5 ] [ 0.25 0.75 0.75 ] [ 0.5 0.0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.5 0.5 0.0 ] [ 0.75 0.75 0.25 ] ] } "space-group" { "source-value" "Fd-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" 35.85805807211647 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578758156 "si-unit" "kg / m s^2" "si-value" 35858058072.11647 } } ]