[ { "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" 3.5213917568326 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.5213917568326e-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" 260.8681497331234 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725233081 "si-unit" "kg / m s^2" "si-value" 260868149733.1234 } "c12" { "source-value" 148.34685404829364 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863619974565 "si-unit" "kg / m s^2" "si-value" 148346854048.2936 } "c44" { "source-value" 112.08305682540599 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813846105 "si-unit" "kg / m s^2" "si-value" 112083056825.406 } "excess" { "source-value" 1.0265270115423075e-05 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 10265.27011542307 } } { "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" 3.5213917568326 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.5213917568326e-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" 185.85395260990356 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578899219 "si-unit" "kg / m s^2" "si-value" 185853952609.9036 } } ]