[ { "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" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" ] } "a" { "source-value" 8.295760798454294 "source-unit" "angstrom" "si-unit" "m" "si-value" 8.295760798454295e-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" -210857.11320160213 "source-unit" "GPa" "source-std-uncert-value" 0.00733593106827413 "si-unit" "kg / m s^2" "si-value" -210857113201602.1 } "c12" { "source-value" 7.398213390650426 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361835111 "si-unit" "kg / m s^2" "si-value" 7398213390.650426 } "c44" { "source-value" -158144.42188153884 "source-unit" "GPa" "source-std-uncert-value" 0.001833982938804094 "si-unit" "kg / m s^2" "si-value" -158144421881538.8 } "excess" { "source-value" 26410.588818728123 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431961232713 "si-unit" "kg / m s^2" "si-value" 26410588818728.12 } } { "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" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" ] } "a" { "source-value" 8.295760798454294 "source-unit" "angstrom" "si-unit" "m" "si-value" 8.295760798454295e-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" -70280.7722582736 "source-unit" "GPa" "source-std-uncert-value" 0.004235401644829131 "si-unit" "kg / m s^2" "si-value" -70280772258273.6 } } ]