[ { "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" [ "B" "B" ] } "a" { "source-value" 2.150498852133751 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.150498852133751e-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" 4573.881294863292 "source-unit" "GPa" "source-std-uncert-value" 0.007335930732258564 "si-unit" "kg / m s^2" "si-value" 4573881294863.292 } "c12" { "source-value" 3018.6897370192405 "source-unit" "GPa" "source-std-uncert-value" 0.005187286365303542 "si-unit" "kg / m s^2" "si-value" 3018689737019.241 } "c44" { "source-value" 765.2143525868647 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826824484986 "si-unit" "kg / m s^2" "si-value" 765214352586.8647 } "excess" { "source-value" 2.3743969753321913e-07 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 237.4396975332191 } } { "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" [ "B" "B" ] } "a" { "source-value" 2.150498852133751 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.150498852133751e-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" 3537.0869229672576 "source-unit" "GPa" "source-std-uncert-value" 0.004235401582050879 "si-unit" "kg / m s^2" "si-value" 3537086922967.258 } } ]