[ { "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" 3.897482566535473 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.897482566535473e-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" 1226.6576307154367 "source-unit" "GPa" "source-std-uncert-value" 0.0073359307268062585 "si-unit" "kg / m s^2" "si-value" 1226657630715.437 } "c12" { "source-value" 1188.5586474032325 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863631955805 "si-unit" "kg / m s^2" "si-value" 1188558647403.232 } "c44" { "source-value" 204.01216520660975 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826815343542 "si-unit" "kg / m s^2" "si-value" 204012165206.6097 } "excess" { "source-value" 1.065814103640385e-08 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 10.65814103640385 } } { "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" 3.897482566535473 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.897482566535473e-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" 1201.2583085073004 "source-unit" "GPa" "source-std-uncert-value" 0.004235401579854153 "si-unit" "kg / m s^2" "si-value" 1201258308507.3 } } ]