{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2" } "basis-atom-coordinates" { "source-value" [ [ 0 0.696504 0.5 ] [ 0.5 0.81673 0.5 ] [ 0 0.906675 0 ] [ 0.5 0.589026 0 ] [ 0 0.079854 0.5 ] [ 0.5 0.389659 0.5 ] [ 0.259469 0.741262 0.138503 ] [ 0.296429 0.418868 0.181636 ] [ 0.195564 0.066667 0.190921 ] [ 0.707096 0.569041 0.328275 ] [ 0.797863 0.90853 0.327723 ] [ 0.752103 0.243019 0.35823 ] [ 0.247897 0.243019 0.64177 ] [ 0.202137 0.90853 0.672277 ] [ 0.292904 0.569041 0.671725 ] [ 0.804436 0.066667 0.809079 ] [ 0.703571 0.418868 0.818364 ] [ 0.740531 0.741262 0.861497 ] ] } "species" { "source-value" [ "Li" "Li" "Ti" "Te" "Te" "Te" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.01660764 "source-unit" "angstrom" } "b" { "source-value" 8.44511422 "source-unit" "angstrom" } "c" { "source-value" 5.2167039 "source-unit" "angstrom" } "beta" { "source-value" 90.76273694 "source-unit" "degree" } }