[ { "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" [ "Te" "Te" "Te" "Te" ] } "a" { "source-value" 4.950915075838566 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.950915075838566e-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" 51.56408950195819 "source-unit" "GPa" "source-std-uncert-value" 0.0073359307248921455 "si-unit" "kg / m s^2" "si-value" 51564089501.95819 } "c12" { "source-value" 85.42034545080064 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361924976 "si-unit" "kg / m s^2" "si-value" 85420345450.80064 } "c44" { "source-value" 5.6423912854221205 "source-unit" "GPa" "source-std-uncert-value" 0.001833982681211229 "si-unit" "kg / m s^2" "si-value" 5642391285.42212 } "excess" { "source-value" 1.4802973661672014e-09 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 1.480297366167201 } } { "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" [ "Te" "Te" "Te" "Te" ] } "a" { "source-value" 4.950915075838566 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.950915075838566e-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" 74.13492680118648 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578794153 "si-unit" "kg / m s^2" "si-value" 74134926801.18648 } } ]