[ { "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" ] } "a" { "source-value" 7.783120062947286 "source-unit" "angstrom" "si-unit" "m" "si-value" 7.783120062947286e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.25 0.25 0.25 ] [ 0.0 0.5 0.5 ] [ 0.25 0.75 0.75 ] [ 0.5 0.0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.5 0.5 0.0 ] [ 0.75 0.75 0.25 ] ] } "space-group" { "source-value" "Fd-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" -3318339.5720599717 "source-unit" "GPa" "source-std-uncert-value" 0.007335936130271004 "si-unit" "kg / m s^2" "si-value" -3318339572059972.0 } "c12" { "source-value" 182.36352705588376 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362036637 "si-unit" "kg / m s^2" "si-value" 182363527055.8838 } "c44" { "source-value" -1244374.1890132602 "source-unit" "GPa" "source-std-uncert-value" 0.0018339847081679324 "si-unit" "kg / m s^2" "si-value" -1244374189013260.0 } "excess" { "source-value" 5.067411624390585 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809162126 "si-unit" "kg / m s^2" "si-value" 5067411624.390585 } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 2 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" ] } "a" { "source-value" 7.783120062947286 "source-unit" "angstrom" "si-unit" "m" "si-value" 7.783120062947286e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.25 0.25 0.25 ] [ 0.0 0.5 0.5 ] [ 0.25 0.75 0.75 ] [ 0.5 0.0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.5 0.5 0.0 ] [ 0.75 0.75 0.25 ] ] } "space-group" { "source-value" "Fd-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" -1105991.6150019532 "source-unit" "GPa" "source-std-uncert-value" 0.004235402619120835 "si-unit" "kg / m s^2" "si-value" -1105991615001953.0 } } ]