[ { "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" [ "Ga" "Ga" ] } "a" { "source-value" 3.1440047323703766 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.144004732370377e-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" 546.8629093043633 "source-unit" "GPa" "source-std-uncert-value" 0.00733593072569894 "si-unit" "kg / m s^2" "si-value" 546862909304.3633 } "c12" { "source-value" 513.7668311960482 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362418349 "si-unit" "kg / m s^2" "si-value" 513766831196.0482 } "c44" { "source-value" 509.15206886155994 "source-unit" "GPa" "source-std-uncert-value" 0.001833982682031398 "si-unit" "kg / m s^2" "si-value" 509152068861.5599 } "excess" { "source-value" 0.0005906610756058108 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913295 "si-unit" "kg / m s^2" "si-value" 590661.0756058109 } } { "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" [ "Ga" "Ga" ] } "a" { "source-value" 3.1440047323703766 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.144004732370377e-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" 524.7988572321532 "source-unit" "GPa" "source-std-uncert-value" 0.004235401579217978 "si-unit" "kg / m s^2" "si-value" 524798857232.1532 } } ]