[ { "short-name" { "source-value" [ "bcc" ] } "a" { "si-unit" "m" "source-unit" "angstrom" "si-value" 4.56356938183e-10 "source-value" 4.56356938183 } "temperature" { "si-unit" "K" "source-unit" "K" "si-value" 0.0 "source-value" 0 } "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "c44" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" 8845722730.47 "source-std-uncert-value" 0.00183398268122 "source-value" 8.84572273047 } "space-group" { "source-value" "Im-3m" } "excess" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" 17643150.9587 "source-std-uncert-value" 0.00259364318091 "source-value" 0.0176431509587 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.5 0.5 0.5 ] ] } "c12" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" 9559882149.98 "source-std-uncert-value" 0.00518728636184 "source-value" 9.55988214998 } "c11" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" -2179836307.46 "source-std-uncert-value" 0.00733593072481 "source-value" -2.17983630746 } "cauchy-stress" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] "source-value" [ 0 0 0 0 0 0 ] } "species" { "source-value" [ "Ca" "Ca" ] } "instance-id" 1 } { "short-name" { "source-value" [ "bcc" ] } "a" { "si-unit" "m" "source-unit" "angstrom" "si-value" 4.56356938183e-10 "source-value" 4.56356938183 } "temperature" { "si-unit" "K" "source-unit" "K" "si-value" 0.0 "source-value" 0 } "isothermal-bulk-modulus" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" 5646642664.16 "source-std-uncert-value" 0.00423540157873 "source-value" 5.64664266416 } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "space-group" { "source-value" "Im-3m" } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.5 0.5 0.5 ] ] } "cauchy-stress" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] "source-value" [ 0 0 0 0 0 0 ] } "species" { "source-value" [ "Ca" "Ca" ] } "instance-id" 2 } ]