{ "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" [ [ 0.624776 0.375224 0.875224 ] [ 0.375224 0.875224 0.624776 ] [ 0.124776 0.124776 0.124776 ] [ 0.875224 0.624776 0.375224 ] [ 0.169255 0.330745 0.669255 ] [ 0.669255 0.169255 0.330745 ] [ 0.330745 0.669255 0.169255 ] [ 0.830745 0.830745 0.830745 ] [ 0.579478 0.920522 0.079478 ] [ 0.079478 0.579478 0.920522 ] [ 0.420522 0.420522 0.420522 ] [ 0.920522 0.079478 0.579478 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Si" "Si" "Si" "Si" "Pt" "Pt" "Pt" "Pt" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.38481006 "source-unit" "angstrom" } "c11" { "source-value" 98.73169863232042 "source-unit" "GPa" } "c12" { "source-value" 76.91900563854347 "source-unit" "GPa" } "c44" { "source-value" 30.210820963333333 "source-unit" "GPa" } "excess" { "source-value" 0 "source-unit" "GPa" } }