[ { "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" [ "He" "He" "He" "He" "He" "He" "He" "He" ] } "a" { "source-value" 3.720553606748581 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.720553606748581e-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" 208.5854655666516 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725147918 "si-unit" "kg / m s^2" "si-value" 208585465566.6516 } "c12" { "source-value" 202.04653202475785 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362059308 "si-unit" "kg / m s^2" "si-value" 202046532024.7578 } "c44" { "source-value" 8.241634615252478 "source-unit" "GPa" "source-std-uncert-value" 0.001833982681215463 "si-unit" "kg / m s^2" "si-value" 8241634615.252478 } "excess" { "source-value" 5.744182907109362e-06 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 5744.182907109362 } } { "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" [ "He" "He" "He" "He" "He" "He" "He" "He" ] } "a" { "source-value" 3.720553606748581 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.720553606748581e-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" 204.22617653872243 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578916497 "si-unit" "kg / m s^2" "si-value" 204226176538.7224 } } ]