[ { "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" [ "H" "H" ] } "a" { "source-value" 2.401276163756848 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.401276163756848e-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" 14.294738384419603 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724831437 "si-unit" "kg / m s^2" "si-value" 14294738384.4196 } "c12" { "source-value" 13.855469880329949 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361842549 "si-unit" "kg / m s^2" "si-value" 13855469880.32995 } "c44" { "source-value" -22.2089776585844 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812382143 "si-unit" "kg / m s^2" "si-value" -22208977658.5844 } "excess" { "source-value" 4.137176712327518e-06 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 4137.176712327519 } } { "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" [ "H" "H" ] } "a" { "source-value" 2.401276163756848 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.401276163756848e-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" 14.0018927150265 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578737602 "si-unit" "kg / m s^2" "si-value" 14001892715.0265 } } ]