{ "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" [ [ 0.828662 0.89945 0.894723 ] [ 0.171338 0.100549 0.105277 ] [ 0 0 0.5 ] [ 0.392409 0.18089 0.607008 ] [ 0.382858 0.591015 0.146382 ] [ 0.617142 0.408985 0.853618 ] [ 0.607591 0.81911 0.392992 ] [ 0.878853 0.403165 0.346739 ] [ 0.121147 0.596835 0.653261 ] [ 0.670305 0.602663 0.973004 ] [ 0.343494 0.047044 0.378183 ] [ 0.166375 0.801399 0.035826 ] [ 0.105443 0.053932 0.67956 ] [ 0.833625 0.198601 0.964174 ] [ 0.329695 0.397337 0.026996 ] [ 0.546456 0.827986 0.177802 ] [ 0.656506 0.952956 0.621817 ] [ 0.894557 0.946068 0.32044 ] [ 0.453544 0.172014 0.822198 ] ] } "species" { "source-value" [ "Ca" "Ca" "Cu" "Te" "Te" "Te" "Te" "Cl" "Cl" "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" 5.43945449679 "source-unit" "angstrom" } "b" { "source-value" 7.33398322228 "source-unit" "angstrom" } "c" { "source-value" 8.83337926148 "source-unit" "angstrom" } "alpha" { "source-value" 72.2894284417 "source-unit" "degree" } "beta" { "source-value" 79.2406426298 "source-unit" "degree" } "gamma" { "source-value" 77.8780277937 "source-unit" "degree" } }