[ { "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" [ "W" "W" "W" "W" "W" "W" "W" "W" ] } "a" { "source-value" 6.159414786100396 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.159414786100396e-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" 207.15991861905363 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725145595 "si-unit" "kg / m s^2" "si-value" 207159918619.0536 } "c12" { "source-value" 178.145827061292 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362031779 "si-unit" "kg / m s^2" "si-value" 178145827061.292 } "c44" { "source-value" 26.695637187348314 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812455227 "si-unit" "kg / m s^2" "si-value" 26695637187.34831 } "excess" { "source-value" 0.06068895623084255 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913329 "si-unit" "kg / m s^2" "si-value" 60688956.23084255 } } { "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" [ "W" "W" "W" "W" "W" "W" "W" "W" ] } "a" { "source-value" 6.159414786100396 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.159414786100396e-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" 187.8171909138792 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578901066 "si-unit" "kg / m s^2" "si-value" 187817190913.8792 } } ]