[ { "short-name" { "source-value" [ "sc" ] } "a" { "si-unit" "m" "source-unit" "angstrom" "si-value" 2.98671217263e-10 "source-value" 2.98671217263 } "temperature" { "si-unit" "K" "source-unit" "K" "si-value" 0.0 "source-value" 0 } "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "c44" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" -20524435983.7 "source-std-uncert-value" 0.0018339826812354702 "source-value" -20.52443598366435 } "space-group" { "source-value" "Pm-3m" } "excess" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" 0.592118946467 "source-std-uncert-value" 0.0025936431809132944 "source-value" 5.921189464668806e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] ] } "c12" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" 16829186529.7 "source-std-uncert-value" 0.0051872863618459735 "source-value" 16.829186529680282 } "c11" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" 185279295812.0 "source-std-uncert-value" 0.007335930725109955 "source-value" 185.27929581150988 } "cauchy-stress" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] "source-value" [ 0 0 0 0 0 0 ] } "species" { "source-value" [ "Zr" ] } "instance-id" 1 } { "short-name" { "source-value" [ "sc" ] } "a" { "si-unit" "m" "source-unit" "angstrom" "si-value" 2.98671217263e-10 "source-value" 2.98671217263 } "temperature" { "si-unit" "K" "source-unit" "K" "si-value" 0.0 "source-value" 0 } "isothermal-bulk-modulus" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" 72979222957.0 "source-std-uncert-value" 0.004235401578793066 "source-value" 72.97922295695682 } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "space-group" { "source-value" "Pm-3m" } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] ] } "cauchy-stress" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] "source-value" [ 0 0 0 0 0 0 ] } "species" { "source-value" [ "Zr" ] } "instance-id" 2 } ]