[ { "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" [ "Bi" "Bi" "Bi" "Bi" ] } "a" { "source-value" 4.070774435997009 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.070774435997009e-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" 1878.5215742534328 "source-unit" "GPa" "source-std-uncert-value" 0.0073359307278680844 "si-unit" "kg / m s^2" "si-value" 1878521574253.433 } "c12" { "source-value" 1071.779243953348 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863630610735 "si-unit" "kg / m s^2" "si-value" 1071779243953.348 } "c44" { "source-value" 1074.006833774395 "source-unit" "GPa" "source-std-uncert-value" 0.001833982682951492 "si-unit" "kg / m s^2" "si-value" 1074006833774.395 } "excess" { "source-value" 1.0658625241672324 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913908 "si-unit" "kg / m s^2" "si-value" 1065862524.167232 } } { "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" [ "Bi" "Bi" "Bi" "Bi" ] } "a" { "source-value" 4.070774435997009 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.070774435997009e-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" 1340.6933540533762 "source-unit" "GPa" "source-std-uncert-value" 0.004235401579985285 "si-unit" "kg / m s^2" "si-value" 1340693354053.376 } } ]