{ "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" [ [ 0.86592 0.63408 0.36592 ] [ 0.63408 0.36592 0.86592 ] [ 0.36592 0.86592 0.63408 ] [ 0.13408 0.13408 0.13408 ] [ 0.1557 0.3443 0.6557 ] [ 0.3443 0.6557 0.1557 ] [ 0.6557 0.1557 0.3443 ] [ 0.8443 0.8443 0.8443 ] ] } "species" { "source-value" [ "Re" "Re" "Re" "Re" "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" 4.80522536 "source-unit" "angstrom" } "c11" { "source-value" 311.8893373499281 "source-unit" "GPa" } "c12" { "source-value" 214.84040414637718 "source-unit" "GPa" } "c44" { "source-value" 145.59593056666668 "source-unit" "GPa" } "excess" { "source-value" 0 "source-unit" "GPa" } }