[ { "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" 5.06236281991005 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.062362819910051e-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" -10711.786482812486 "source-unit" "GPa" "source-std-uncert-value" 0.007335930742336561 "si-unit" "kg / m s^2" "si-value" -10711786482812.49 } "c12" { "source-value" 69.16839062104059 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361906257 "si-unit" "kg / m s^2" "si-value" 69168390621.04059 } "c44" { "source-value" -4017.1742404462275 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826877456285 "si-unit" "kg / m s^2" "si-value" -4017174240446.228 } "excess" { "source-value" 0.6329414237173099 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913659 "si-unit" "kg / m s^2" "si-value" 632941423.7173098 } } { "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" 5.06236281991005 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.062362819910051e-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" -3524.4832338568012 "source-unit" "GPa" "source-std-uncert-value" 0.004235401582141142 "si-unit" "kg / m s^2" "si-value" -3524483233856.801 } } ]