[ { "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" 4.154278779029849 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.15427877902985e-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" 120.2453398446607 "source-unit" "GPa" "source-std-uncert-value" 0.00733593072500402 "si-unit" "kg / m s^2" "si-value" 120245339844.6607 } "c12" { "source-value" 88.05436525410971 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361928011 "si-unit" "kg / m s^2" "si-value" 88054365254.10971 } "c44" { "source-value" 56.07731063462919 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812933827 "si-unit" "kg / m s^2" "si-value" 56077310634.6292 } "excess" { "source-value" 3.552713678801284e-09 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 3.552713678801284 } } { "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" 4.154278779029849 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.15427877902985e-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" 98.7846901176267 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578817335 "si-unit" "kg / m s^2" "si-value" 98784690117.6267 } } ]