{ "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" [ [ 0.86336 0.63664 0.36336 ] [ 0.63664 0.36336 0.86336 ] [ 0.36336 0.86336 0.63664 ] [ 0.13664 0.13664 0.13664 ] [ 0.154865 0.345135 0.654865 ] [ 0.345135 0.654865 0.154865 ] [ 0.654865 0.154865 0.345135 ] [ 0.845135 0.845135 0.845135 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "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" 4.52192919 "source-unit" "angstrom" } "c11" { "source-value" 399.34358265414875 "source-unit" "GPa" } "c12" { "source-value" 114.74678104138192 "source-unit" "GPa" } "c44" { "source-value" 140.48947031000003 "source-unit" "GPa" } "excess" { "source-value" 0 "source-unit" "GPa" } }