[ { "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" [ "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" ] } "a" { "source-value" 5.554947763681412 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.554947763681412e-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" -388718738.90309066 "source-unit" "GPa" "source-std-uncert-value" 0.007336563924066627 "si-unit" "kg / m s^2" "si-value" -3.887187389030906e+17 } "c12" { "source-value" 80.8404867225399 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361919702 "si-unit" "kg / m s^2" "si-value" 80840486722.53989 } "c44" { "source-value" -145769481.87634042 "source-unit" "GPa" "source-std-uncert-value" 0.0018342201256707552 "si-unit" "kg / m s^2" "si-value" -1.457694818763404e+17 } "excess" { "source-value" 5.671367553362756 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809165605 "si-unit" "kg / m s^2" "si-value" 5671367553.362756 } } { "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" [ "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" ] } "a" { "source-value" 5.554947763681412 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.554947763681412e-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" -129572859.07403906 "source-unit" "GPa" "source-std-uncert-value" 0.00423552344153521 "si-unit" "kg / m s^2" "si-value" -1.295728590740391e+17 } } ]