[ { "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" 6.042486280202866 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.042486280202866e-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" 44.3318207619212 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724880365 "si-unit" "kg / m s^2" "si-value" 44331820761.9212 } "c12" { "source-value" 46.47319968588051 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361880117 "si-unit" "kg / m s^2" "si-value" 46473199685.88051 } "c44" { "source-value" -1530.358193373997 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826836948443 "si-unit" "kg / m s^2" "si-value" -1530358193373.997 } "excess" { "source-value" 276.7015791466338 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431810726483 "si-unit" "kg / m s^2" "si-value" 276701579146.6338 } } { "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" 6.042486280202866 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.042486280202866e-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" 45.759406711227406 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578767467 "si-unit" "kg / m s^2" "si-value" 45759406711.22741 } } ]