[ { "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" [ "O" "O" ] } "a" { "source-value" 3.534203097224236 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.534203097224236e-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" 4.003275214696931 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724814672 "si-unit" "kg / m s^2" "si-value" 4003275214.696931 } "c12" { "source-value" 4.055876646240784 "source-unit" "GPa" "source-std-uncert-value" 0.00518728636183126 "si-unit" "kg / m s^2" "si-value" 4055876646.240784 } "c44" { "source-value" 4.055904755403929 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812086447 "si-unit" "kg / m s^2" "si-value" 4055904755.403929 } "excess" { "source-value" 2.4517425127144273e-10 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 0.2451742512714427 } } { "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" [ "O" "O" ] } "a" { "source-value" 3.534203097224236 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.534203097224236e-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" 4.038342835726166 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578728231 "si-unit" "kg / m s^2" "si-value" 4038342835.726166 } } ]