[ { "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" 3.194273844361306 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.194273844361306e-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" -290496.1235720348 "source-unit" "GPa" "source-std-uncert-value" 0.007335931198200573 "si-unit" "kg / m s^2" "si-value" -290496123572034.8 } "c12" { "source-value" 104.91265353472498 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361947429 "si-unit" "kg / m s^2" "si-value" 104912653534.725 } "c44" { "source-value" -108965.07169082586 "source-unit" "GPa" "source-std-uncert-value" 0.0018339828586956615 "si-unit" "kg / m s^2" "si-value" -108965071690825.9 } "excess" { "source-value" 18161.152351189983 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431913723837 "si-unit" "kg / m s^2" "si-value" 18161152351189.98 } } { "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" 3.194273844361306 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.194273844361306e-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" -96762.09942165512 "source-unit" "GPa" "source-std-uncert-value" 0.004235401669894626 "si-unit" "kg / m s^2" "si-value" -96762099421655.12 } } ]