[ { "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" 5.06236281991005 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.062362819910051e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.25 0.25 0.25 ] [ 0.0 0.5 0.5 ] [ 0.25 0.75 0.75 ] [ 0.5 0.0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.5 0.5 0.0 ] [ 0.75 0.75 0.25 ] ] } "space-group" { "source-value" "Fd-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" 73.61321736474444 "source-unit" "GPa" "source-std-uncert-value" 0.00733593072492806 "si-unit" "kg / m s^2" "si-value" 73613217364.74445 } "c12" { "source-value" 60.36645103614455 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361896118 "si-unit" "kg / m s^2" "si-value" 60366451036.14455 } "c44" { "source-value" -1344.0577491940312 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826833913787 "si-unit" "kg / m s^2" "si-value" -1344057749194.031 } "excess" { "source-value" 670.0397776295825 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431812991732 "si-unit" "kg / m s^2" "si-value" 670039777629.5825 } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 2 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" 5.06236281991005 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.062362819910051e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.25 0.25 0.25 ] [ 0.0 0.5 0.5 ] [ 0.25 0.75 0.75 ] [ 0.5 0.0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.5 0.5 0.0 ] [ 0.75 0.75 0.25 ] ] } "space-group" { "source-value" "Fd-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" 64.78203981234451 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578785356 "si-unit" "kg / m s^2" "si-value" 64782039812.34451 } } ]