{ "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_13" } "basis-atom-coordinates" { "source-value" [ [ 0.862109 0.637891 0.362109 ] [ 0.637891 0.362109 0.862109 ] [ 0.362109 0.862109 0.637891 ] [ 0.137891 0.137891 0.137891 ] [ 0.152815 0.347185 0.652815 ] [ 0.347185 0.652815 0.152815 ] [ 0.652815 0.152815 0.347185 ] [ 0.847185 0.847185 0.847185 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "Si" "Si" "Si" "Si" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.59952639 "source-unit" "angstrom" } "c11" { "source-value" 346.2159503756052 "source-unit" "GPa" } "c12" { "source-value" 107.39753879475703 "source-unit" "GPa" } "c44" { "source-value" 113.58673772333337 "source-unit" "GPa" } "excess" { "source-value" 0 "source-unit" "GPa" } }