[ { "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Ti" "Ti" ] } "a" { "source-value" 3.263474717736245 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.263474717736245e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.5 0.5 0.5 ] ] } "space-group" { "source-value" "Im-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" 119.79171105324143 "source-unit" "GPa" "source-std-uncert-value" 0.0073359307250032806 "si-unit" "kg / m s^2" "si-value" 119791711053.2414 } "c12" { "source-value" 92.20722393801039 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361932794 "si-unit" "kg / m s^2" "si-value" 92207223938.01039 } "c44" { "source-value" 71.96941262797124 "source-unit" "GPa" "source-std-uncert-value" 0.001833982681319269 "si-unit" "kg / m s^2" "si-value" 71969412627.97124 } "excess" { "source-value" 0.03925741835313481 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913317 "si-unit" "kg / m s^2" "si-value" 39257418.35313481 } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 2 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Ti" "Ti" ] } "a" { "source-value" 3.263474717736245 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.263474717736245e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.5 0.5 0.5 ] ] } "space-group" { "source-value" "Im-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" 101.40205297642072 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578819796 "si-unit" "kg / m s^2" "si-value" 101402052976.4207 } } ]