[ { "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "a" { "source-value" 3.9082259908318524 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.908225990831853e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.5 0.5 ] [ 0.5 0.0 0.5 ] [ 0.5 0.5 0.0 ] ] } "space-group" { "source-value" "Fm-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" 829.6873876469541 "source-unit" "GPa" "source-std-uncert-value" 0.007335930726159633 "si-unit" "kg / m s^2" "si-value" 829687387646.9541 } "c12" { "source-value" 529.0363528244985 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863624359365 "si-unit" "kg / m s^2" "si-value" 529036352824.4985 } "c44" { "source-value" 336.9767366920853 "source-unit" "GPa" "source-std-uncert-value" 0.001833982681750941 "si-unit" "kg / m s^2" "si-value" 336976736692.0853 } "excess" { "source-value" 5.148474239529526e-06 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 5148.474239529526 } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 2 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "a" { "source-value" 3.9082259908318524 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.908225990831853e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.5 0.5 ] [ 0.5 0.0 0.5 ] [ 0.5 0.5 0.0 ] ] } "space-group" { "source-value" "Fm-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" 629.2533644319838 "source-unit" "GPa" "source-std-uncert-value" 0.004235401579316212 "si-unit" "kg / m s^2" "si-value" 629253364431.9838 } } ]