[ { "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" [ "Ga" "Ga" "Ga" "Ga" ] } "a" { "source-value" 4.063593700528145 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.063593700528145e-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" 1066.5755701038986 "source-unit" "GPa" "source-std-uncert-value" 0.007335930726545501 "si-unit" "kg / m s^2" "si-value" 1066575570103.899 } "c12" { "source-value" 1158.754857235559 "source-unit" "GPa" "source-std-uncert-value" 0.005187286363161253 "si-unit" "kg / m s^2" "si-value" 1158754857235.559 } "c44" { "source-value" 52.28737416286308 "source-unit" "GPa" "source-std-uncert-value" 0.001833982681287209 "si-unit" "kg / m s^2" "si-value" 52287374162.86308 } "excess" { "source-value" 0.00023283167986207722 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 232831.6798620772 } } { "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" [ "Ga" "Ga" "Ga" "Ga" ] } "a" { "source-value" 4.063593700528145 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.063593700528145e-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" 1128.0284281916722 "source-unit" "GPa" "source-std-uncert-value" 0.004235401579785285 "si-unit" "kg / m s^2" "si-value" 1128028428191.672 } } ]