[ { "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" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" ] } "a" { "source-value" 7.350250244140625 "source-unit" "angstrom" "si-unit" "m" "si-value" 7.350250244140625e-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" 56.839526959056705 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724900739 "si-unit" "kg / m s^2" "si-value" 56839526959.0567 } "c12" { "source-value" 56.62768559075761 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863618918135 "si-unit" "kg / m s^2" "si-value" 56627685590.75761 } "c44" { "source-value" 0.35843903297332086 "source-unit" "GPa" "source-std-uncert-value" 0.001833982681202622 "si-unit" "kg / m s^2" "si-value" 358439032.9733208 } "excess" { "source-value" 2.8335852183172573e-06 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 2833.585218317257 } } { "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" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" ] } "a" { "source-value" 7.350250244140625 "source-unit" "angstrom" "si-unit" "m" "si-value" 7.350250244140625e-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" 56.69829938019064 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578777755 "si-unit" "kg / m s^2" "si-value" 56698299380.19064 } } ]