[ { "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" [ "C" "C" ] } "a" { "source-value" 2.263683259487152 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.263683259487152e-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" 2051.5829924557515 "source-unit" "GPa" "source-std-uncert-value" 0.007335930728149985 "si-unit" "kg / m s^2" "si-value" 2051582992455.751 } "c12" { "source-value" -201.73780512545338 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362058953 "si-unit" "kg / m s^2" "si-value" -201737805125.4534 } "c44" { "source-value" -274.2190030188508 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826816487143 "si-unit" "kg / m s^2" "si-value" -274219003018.8508 } "excess" { "source-value" 0.3402525070584555 "source-unit" "GPa" "source-std-uncert-value" 0.00259364318091349 "si-unit" "kg / m s^2" "si-value" 340252507.0584555 } } { "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" [ "C" "C" ] } "a" { "source-value" 2.263683259487152 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.263683259487152e-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" 549.3691274016148 "source-unit" "GPa" "source-std-uncert-value" 0.004235401579494052 "si-unit" "kg / m s^2" "si-value" 549369127401.6148 } } ]