[ { "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" 3.5226424932479863 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.522642493247986e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.5 0.5 ] [ 0.5 0.0 0.5 ] [ 0.5 0.5 0.0 ] ] } "space-group" { "source-value" "Fm-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" 233.28898372973984 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725188158 "si-unit" "kg / m s^2" "si-value" 233288983729.7398 } "c12" { "source-value" 163.47050591869373 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863620148766 "si-unit" "kg / m s^2" "si-value" 163470505918.6937 } "c44" { "source-value" 164.86522519846582 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826814705875 "si-unit" "kg / m s^2" "si-value" 164865225198.4658 } "excess" { "source-value" 0.6952576437533383 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809136947 "si-unit" "kg / m s^2" "si-value" 695257643.7533383 } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 2 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" 3.5226424932479863 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.522642493247986e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.5 0.5 ] [ 0.5 0.0 0.5 ] [ 0.5 0.5 0.0 ] ] } "space-group" { "source-value" "Fm-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" 186.74333185570907 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578900056 "si-unit" "kg / m s^2" "si-value" 186743331855.7091 } } ]