{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I2_13" } "basis-atom-coordinates" { "source-value" [ [ 0.816878 0.5 0.75 ] [ 0 0.75 0.183122 ] [ 0.75 0.183122 0 ] [ 0.5 0.75 0.816878 ] [ 0.75 0.816878 0.5 ] [ 0.183122 0 0.75 ] [ 0.316878 0 0.25 ] [ 0.5 0.25 0.683122 ] [ 0.25 0.683122 0.5 ] [ 0 0.25 0.316878 ] [ 0.25 0.316878 0 ] [ 0.683122 0.5 0.25 ] [ 0.779222 0.779222 0.779222 ] [ 0.720778 0.779222 0.220778 ] [ 0.220778 0.720778 0.779222 ] [ 0.779222 0.220778 0.720778 ] [ 0.279222 0.279222 0.279222 ] [ 0.220778 0.279222 0.720778 ] [ 0.720778 0.220778 0.279222 ] [ 0.279222 0.720778 0.220778 ] [ 0.010506 0.010506 0.010506 ] [ 0.989494 0.510506 0.489494 ] [ 0.489494 0.989494 0.510506 ] [ 0.510506 0.489494 0.989494 ] [ 0.510506 0.510506 0.510506 ] [ 0.489494 0.010506 0.989494 ] [ 0.989494 0.489494 0.010506 ] [ 0.010506 0.989494 0.489494 ] ] } "species" { "source-value" [ "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.6433664744 "source-unit" "angstrom" } }