[ { "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" [ "Cl" "Cl" "Cl" "Cl" ] } "a" { "source-value" 2.805528819561005 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.805528819561005e-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" 12369.796911251642 "source-unit" "GPa" "source-std-uncert-value" 0.0073359307449573615 "si-unit" "kg / m s^2" "si-value" 12369796911251.64 } "c12" { "source-value" 7057.51359606821 "source-unit" "GPa" "source-std-uncert-value" 0.005187286369955496 "si-unit" "kg / m s^2" "si-value" 7057513596068.21 } "c44" { "source-value" 7072.182281482397 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826927219428 "si-unit" "kg / m s^2" "si-value" 7072182281482.397 } "excess" { "source-value" 7.01854845412378 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809173363 "si-unit" "kg / m s^2" "si-value" 7018548454.12378 } } { "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" [ "Cl" "Cl" "Cl" "Cl" ] } "a" { "source-value" 2.805528819561005 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.805528819561005e-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" 8828.274701129354 "source-unit" "GPa" "source-std-uncert-value" 0.004235401587026967 "si-unit" "kg / m s^2" "si-value" 8828274701129.354 } } ]