{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt" "instance-id" 1 "space-group" { "source-value" "R-3" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.166299 ] [ 0.666667 0.333333 0.499633 ] [ 0.333333 0.666667 0.832966 ] [ 0 0 0.833701 ] [ 0.666667 0.333333 0.167034 ] [ 0.333333 0.666667 0.500367 ] [ 0 0 0.550097 ] [ 0.666667 0.333333 0.88343 ] [ 0.333333 0.666667 0.216763 ] [ 0 0 0.449903 ] [ 0.666667 0.333333 0.783237 ] [ 0.333333 0.666667 0.11657 ] [ 0.637504 0.000754 0.57556 ] [ 0.304171 0.334088 0.908894 ] [ 0.970838 0.667421 0.242227 ] [ 0.36325 0.362496 0.57556 ] [ 0.029917 0.695829 0.908894 ] [ 0.696583 0.029162 0.242227 ] [ 0.999246 0.63675 0.57556 ] [ 0.665912 0.970083 0.908894 ] [ 0.332579 0.303417 0.242227 ] [ 0.000754 0.36325 0.42444 ] [ 0.667421 0.696583 0.757773 ] [ 0.334088 0.029917 0.091106 ] [ 0.63675 0.637504 0.42444 ] [ 0.303417 0.970838 0.757773 ] [ 0.970083 0.304171 0.091106 ] [ 0.362496 0.999246 0.42444 ] [ 0.029162 0.332579 0.757773 ] [ 0.695829 0.665912 0.091106 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Si" "Si" "Si" "Si" "Si" "Si" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.83798716038 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }