[ { "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" 2.9145586490631104 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.91455864906311e-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" 6949.173694624606 "source-unit" "GPa" "source-std-uncert-value" 0.0073359307361276875 "si-unit" "kg / m s^2" "si-value" 6949173694624.605 } "c12" { "source-value" 6083.424692438693 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863688335324 "si-unit" "kg / m s^2" "si-value" 6083424692438.692 } "c44" { "source-value" 782.4639936988068 "source-unit" "GPa" "source-std-uncert-value" 0.001833982682476597 "si-unit" "kg / m s^2" "si-value" 782463993698.8068 } "excess" { "source-value" 1.139828971948745e-08 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 11.39828971948745 } } { "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" 2.9145586490631104 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.91455864906311e-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" 6372.007693167329 "source-unit" "GPa" "source-std-uncert-value" 0.004235401584716975 "si-unit" "kg / m s^2" "si-value" 6372007693167.329 } } ]