[ { "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" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" 5.42485685646534 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.424856856465339e-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" -3060698.6772943083 "source-unit" "GPa" "source-std-uncert-value" 0.007335935710419642 "si-unit" "kg / m s^2" "si-value" -3060698677294308.0 } "c12" { "source-value" 35.37515644296313 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863618685405 "si-unit" "kg / m s^2" "si-value" 35375156442.96313 } "c44" { "source-value" -1147752.3007967332 "source-unit" "GPa" "source-std-uncert-value" 0.0018339845507801677 "si-unit" "kg / m s^2" "si-value" -1147752300796733.0 } "excess" { "source-value" 162863.7213388713 "source-unit" "GPa" "source-std-uncert-value" 0.002593643274707259 "si-unit" "kg / m s^2" "si-value" 162863721338871.3 } } { "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" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" 5.42485685646534 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.424856856465339e-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" -1020209.3089938075 "source-unit" "GPa" "source-std-uncert-value" 0.004235402538228864 "si-unit" "kg / m s^2" "si-value" -1020209308993808.0 } } ]