[ { "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" 3.8974184244871144 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.897418424487115e-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" 1226.4632529677615 "source-unit" "GPa" "source-std-uncert-value" 0.007335930726805942 "si-unit" "kg / m s^2" "si-value" 1226463252967.761 } "c12" { "source-value" 1187.8529081033437 "source-unit" "GPa" "source-std-uncert-value" 0.005187286363194769 "si-unit" "kg / m s^2" "si-value" 1187852908103.344 } "c44" { "source-value" 204.29006001007482 "source-unit" "GPa" "source-std-uncert-value" 0.001833982681534807 "si-unit" "kg / m s^2" "si-value" 204290060010.0748 } "excess" { "source-value" 9.91516498535087e-05 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 99151.6498535087 } } { "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" 3.8974184244871144 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.897418424487115e-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" 1200.7230230581495 "source-unit" "GPa" "source-std-uncert-value" 0.00423540157985365 "si-unit" "kg / m s^2" "si-value" 1200723023058.149 } } ]