[ { "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" [ "S" "S" "S" "S" ] } "a" { "source-value" 4.510323032736779 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.510323032736779e-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" 39.561121579332166 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724872594 "si-unit" "kg / m s^2" "si-value" 39561121579.33217 } "c12" { "source-value" 19.780665269202217 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361849373 "si-unit" "kg / m s^2" "si-value" 19780665269.20222 } "c44" { "source-value" 19.78095749737906 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812342596 "si-unit" "kg / m s^2" "si-value" 19780957497.37906 } "excess" { "source-value" 2.073859602566095e-06 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 2073.859602566095 } } { "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" [ "S" "S" "S" "S" ] } "a" { "source-value" 4.510323032736779 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.510323032736779e-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" 26.3741507059122 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578749237 "si-unit" "kg / m s^2" "si-value" 26374150705.9122 } } ]