[ { "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" [ "Be" "Be" "Be" "Be" ] } "a" { "source-value" 2.640509471297264 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.640509471297264e-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" 1896.0876996326124 "source-unit" "GPa" "source-std-uncert-value" 0.007335930727896697 "si-unit" "kg / m s^2" "si-value" 1896087699632.612 } "c12" { "source-value" 1081.8014897729724 "source-unit" "GPa" "source-std-uncert-value" 0.005187286363072618 "si-unit" "kg / m s^2" "si-value" 1081801489772.972 } "c44" { "source-value" 1084.0499492739298 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826829678512 "si-unit" "kg / m s^2" "si-value" 1084049949273.93 } "excess" { "source-value" 1.075828891454241 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913914 "si-unit" "kg / m s^2" "si-value" 1075828891.454241 } } { "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" [ "Be" "Be" "Be" "Be" ] } "a" { "source-value" 2.640509471297264 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.640509471297264e-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" 1353.2302263928523 "source-unit" "GPa" "source-std-uncert-value" 0.004235401579997076 "si-unit" "kg / m s^2" "si-value" 1353230226392.852 } } ]