[ { "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" [ "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" ] } "a" { "source-value" 5.92281486093998 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.922814860939981e-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" -20259.987577556003 "source-unit" "GPa" "source-std-uncert-value" 0.007335930757897589 "si-unit" "kg / m s^2" "si-value" -20259987577556.0 } "c12" { "source-value" 66.80239788331053 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361903533 "si-unit" "kg / m s^2" "si-value" 66802397883.31053 } "c44" { "source-value" -7627.5321943754125 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826936265547 "si-unit" "kg / m s^2" "si-value" -7627532194375.412 } "excess" { "source-value" 0.09981754200973891 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913352 "si-unit" "kg / m s^2" "si-value" 99817542.0097389 } } { "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" [ "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" ] } "a" { "source-value" 5.92281486093998 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.922814860939981e-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" -6708.794260596461 "source-unit" "GPa" "source-std-uncert-value" 0.004235401585134381 "si-unit" "kg / m s^2" "si-value" -6708794260596.461 } } ]