[ { "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" 4.176861062645912 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.176861062645912e-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" 514.0431219969529 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725645479 "si-unit" "kg / m s^2" "si-value" 514043121996.9529 } "c12" { "source-value" 551.9765465187764 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362462361 "si-unit" "kg / m s^2" "si-value" 551976546518.7765 } "c44" { "source-value" 61.06074769164595 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813015 "si-unit" "kg / m s^2" "si-value" 61060747691.64595 } "excess" { "source-value" 1.5734968883410885e-05 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 15734.96888341088 } } { "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" 4.176861062645912 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.176861062645912e-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" 539.3320716781686 "source-unit" "GPa" "source-std-uncert-value" 0.004235401579231647 "si-unit" "kg / m s^2" "si-value" 539332071678.1686 } } ]