{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0 0 0 ] [ 0.389042 0.981473 0.750941 ] [ 0.610958 0.018527 0.249059 ] [ 0.773043 0.333502 0.872139 ] [ 0.226957 0.666498 0.127861 ] [ 0.589815 0.702916 0.945675 ] [ 0.410185 0.297084 0.054325 ] [ 0.15483 0.451005 0.650399 ] [ 0.84517 0.548995 0.349601 ] [ 0.423546 0.294689 0.62416 ] [ 0.576454 0.705311 0.37584 ] [ 0.265152 0.334038 0.41302 ] [ 0.734848 0.665962 0.58698 ] [ 0.761442 0.697747 0.445424 ] [ 0.238558 0.302253 0.554576 ] [ 0.207839 0.893897 0.718542 ] [ 0.792161 0.106103 0.281458 ] [ 0.282454 0.840038 0.148337 ] [ 0.717546 0.159962 0.851663 ] [ 0.765818 0.671083 0.886278 ] [ 0.234182 0.328917 0.113722 ] ] } "species" { "source-value" [ "Cu" "Sn" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "N" "N" "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" 4.96423215 "source-unit" "angstrom" } "b" { "source-value" 5.75287772 "source-unit" "angstrom" } "c" { "source-value" 6.7226589 "source-unit" "angstrom" } "alpha" { "source-value" 107.66580124 "source-unit" "degree" } "beta" { "source-value" 92.2784982 "source-unit" "degree" } "gamma" { "source-value" 92.94731348 "source-unit" "degree" } }