[ { "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" [ "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" ] } "a" { "source-value" 4.2696023285388955 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.269602328538896e-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" -3297807.945896243 "source-unit" "GPa" "source-std-uncert-value" 0.00733593609683367 "si-unit" "kg / m s^2" "si-value" -3297807945896243.0 } "c12" { "source-value" 168.27476987750043 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362035161 "si-unit" "kg / m s^2" "si-value" 168274769877.5004 } "c44" { "source-value" -1236670.7733439624 "source-unit" "GPa" "source-std-uncert-value" 0.001833984695619809 "si-unit" "kg / m s^2" "si-value" -1236670773343962.0 } "excess" { "source-value" 17.81954712632265 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809235566 "si-unit" "kg / m s^2" "si-value" 17819547126.32265 } } { "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" [ "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" ] } "a" { "source-value" 4.2696023285388955 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.269602328538896e-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" -1099157.1321188293 "source-unit" "GPa" "source-std-uncert-value" 0.0042354026126850105 "si-unit" "kg / m s^2" "si-value" -1099157132118829.0 } } ]