[ { "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" 4.182010531425476 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.182010531425476e-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" 106.75887345300322 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724982051 "si-unit" "kg / m s^2" "si-value" 106758873453.0032 } "c12" { "source-value" -43.65136807572407 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361876867 "si-unit" "kg / m s^2" "si-value" -43651368075.72408 } "c44" { "source-value" 43.61897140978157 "source-unit" "GPa" "source-std-uncert-value" 0.001833982681273089 "si-unit" "kg / m s^2" "si-value" 43618971409.78157 } "excess" { "source-value" 0.028547374094270248 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913311 "si-unit" "kg / m s^2" "si-value" 28547374.09427025 } } { "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" 4.182010531425476 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.182010531425476e-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" 6.485379100518358 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578785268 "si-unit" "kg / m s^2" "si-value" 6485379100.518358 } } ]