[ { "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" 6.012307468056687 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.012307468056687e-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" -1465268.3379689988 "source-unit" "GPa" "source-std-uncert-value" 0.007335933111809103 "si-unit" "kg / m s^2" "si-value" -1465268337968999.0 } "c12" { "source-value" 104.57508929002 "source-unit" "GPa" "source-std-uncert-value" 0.00518728636194704 "si-unit" "kg / m s^2" "si-value" 104575089290.02 } "c44" { "source-value" -1098997.468153197 "source-unit" "GPa" "source-std-uncert-value" 0.0018339844713632337 "si-unit" "kg / m s^2" "si-value" -1098997468153197.0 } "excess" { "source-value" 157.77480554416556 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431810041575 "si-unit" "kg / m s^2" "si-value" 157774805544.1656 } } { "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" 6.012307468056687 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.012307468056687e-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" -488353.0625968062 "source-unit" "GPa" "source-std-uncert-value" 0.004235402038168595 "si-unit" "kg / m s^2" "si-value" -488353062596806.2 } } ]