[ { "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" [ "Zn" "Zn" "Zn" "Zn" ] } "a" { "source-value" 3.3556343168020253 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.355634316802026e-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" 308.8588615506626 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725311252 "si-unit" "kg / m s^2" "si-value" 308858861550.6626 } "c12" { "source-value" 176.21757494538645 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362029558 "si-unit" "kg / m s^2" "si-value" 176217574945.3864 } "c44" { "source-value" 176.58383608702425 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826814896762 "si-unit" "kg / m s^2" "si-value" 176583836087.0243 } "excess" { "source-value" 0.1752446296965746 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133955 "si-unit" "kg / m s^2" "si-value" 175244629.6965746 } } { "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" [ "Zn" "Zn" "Zn" "Zn" ] } "a" { "source-value" 3.3556343168020253 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.355634316802026e-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" 220.43133714714514 "source-unit" "GPa" "source-std-uncert-value" 0.0042354015789317365 "si-unit" "kg / m s^2" "si-value" 220431337147.1451 } } ]