[ { "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Si" "Si" ] } "a" { "source-value" 3.1259388774633408 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.125938877463341e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.5 0.5 0.5 ] ] } "space-group" { "source-value" "Im-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" 496.95790831579296 "source-unit" "GPa" "source-std-uncert-value" 0.00733593072561765 "si-unit" "kg / m s^2" "si-value" 496957908315.793 } "c12" { "source-value" 95.56150270208947 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361936657 "si-unit" "kg / m s^2" "si-value" 95561502702.08948 } "c44" { "source-value" 76.84567271465222 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813272122 "si-unit" "kg / m s^2" "si-value" 76845672714.65222 } "excess" { "source-value" 0.06594318839131132 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133326 "si-unit" "kg / m s^2" "si-value" 65943188.39131132 } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 2 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Si" "Si" ] } "a" { "source-value" 3.1259388774633408 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.125938877463341e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.5 0.5 0.5 ] ] } "space-group" { "source-value" "Im-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" 229.36030457332396 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578940134 "si-unit" "kg / m s^2" "si-value" 229360304573.3239 } } ]