{ "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pa3" } "basis-atom-coordinates" { "source-value" [ [ 0.374716 0.125284 0.874716 ] [ 0.125284 0.874716 0.374716 ] [ 0.874716 0.374716 0.125284 ] [ 0.625284 0.625284 0.625284 ] [ 0.374716 0.374716 0.374716 ] [ 0.125284 0.625284 0.874716 ] [ 0.874716 0.125284 0.625284 ] [ 0.625284 0.874716 0.125284 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0 0 0 ] ] } "species" { "source-value" [ "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "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" 6.54885099 "source-unit" "angstrom" } "c11" { "source-value" 209.96230446386144 "source-unit" "GPa" } "c12" { "source-value" 50.552941945042654 "source-unit" "GPa" } "c44" { "source-value" 41.52846226000044 "source-unit" "GPa" } "excess" { "source-value" 1.5888218580784223e-14 "source-unit" "GPa" } }