[ { "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" [ "Xe" "Xe" "Xe" "Xe" "Xe" "Xe" "Xe" "Xe" ] } "a" { "source-value" 10.853254318237319 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.085325431823732e-09 } "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" 2.5410957729617376 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724812292 "si-unit" "kg / m s^2" "si-value" 2541095772.961738 } "c12" { "source-value" 2.5411108619164184 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361829516 "si-unit" "kg / m s^2" "si-value" 2541110861.916419 } "c44" { "source-value" 0.009403876360089132 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812020536 "si-unit" "kg / m s^2" "si-value" 9403876.360089133 } "excess" { "source-value" 0.0005639339550167574 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132953 "si-unit" "kg / m s^2" "si-value" 563933.9550167574 } } { "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" [ "Xe" "Xe" "Xe" "Xe" "Xe" "Xe" "Xe" "Xe" ] } "a" { "source-value" 10.853254318237319 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.085325431823732e-09 } "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" 2.541105832264858 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578726823 "si-unit" "kg / m s^2" "si-value" 2541105832.264858 } } ]