{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3/mcm" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0 ] [ 0.666667 0.333333 0.5 ] [ 0.666667 0.333333 0 ] [ 0.333333 0.666667 0.5 ] [ 0.282293 0 0.25 ] [ 0.282293 0.282293 0.75 ] [ 0 0.717707 0.75 ] [ 0 0.282293 0.25 ] [ 0.717707 0.717707 0.25 ] [ 0.717707 0 0.75 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.613436 0 0.25 ] [ 0.613436 0.613436 0.75 ] [ 0 0.386564 0.75 ] [ 0 0.613436 0.25 ] [ 0.386564 0.386564 0.25 ] [ 0.386564 0 0.75 ] ] } "species" { "source-value" [ "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.77427121012 "source-unit" "angstrom" } "c" { "source-value" 5.91211417 "source-unit" "angstrom" } "isothermal-bulk-modulus" { "source-value" 111.69996401894788 "source-unit" "GPa" "source-std-uncert-value" 0.0009897593624117462 } }