[ { "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" [ "Ti" "Ti" "Ti" "Ti" ] } "a" { "source-value" 4.1295066475868225 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.129506647586823e-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" 152.67166162406008 "source-unit" "GPa" "source-std-uncert-value" 0.00733593072505684 "si-unit" "kg / m s^2" "si-value" 152671661624.0601 } "c12" { "source-value" 67.25008744961809 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361904048 "si-unit" "kg / m s^2" "si-value" 67250087449.6181 } "c44" { "source-value" 64.73329016096709 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813074823 "si-unit" "kg / m s^2" "si-value" 64733290160.96709 } "excess" { "source-value" 1.0701513749232548e-05 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 10701.51374923255 } } { "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" [ "Ti" "Ti" "Ti" "Ti" ] } "a" { "source-value" 4.1295066475868225 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.129506647586823e-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" 95.72394550776542 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578814456 "si-unit" "kg / m s^2" "si-value" 95723945507.76543 } } ]