[ { "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" [ "H" "H" "H" "H" "H" "H" "H" "H" ] } "a" { "source-value" 3.719218015670776 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.719218015670776e-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" -2450241.8839738704 "source-unit" "GPa" "source-std-uncert-value" 0.007335934716049148 "si-unit" "kg / m s^2" "si-value" -2450241883973870.0 } "c12" { "source-value" 25.039978408604878 "source-unit" "GPa" "source-std-uncert-value" 0.00518728636185543 "si-unit" "kg / m s^2" "si-value" 25039978408.60488 } "c44" { "source-value" -918837.9196928827 "source-unit" "GPa" "source-std-uncert-value" 0.0018339841779006535 "si-unit" "kg / m s^2" "si-value" -918837919692882.6 } "excess" { "source-value" 7.618802258156009 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809176824 "si-unit" "kg / m s^2" "si-value" 7618802258.156009 } } { "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" [ "H" "H" "H" "H" "H" "H" "H" "H" ] } "a" { "source-value" 3.719218015670776 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.719218015670776e-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" -816730.6013390176 "source-unit" "GPa" "source-std-uncert-value" 0.004235402346854959 "si-unit" "kg / m s^2" "si-value" -816730601339017.6 } } ]