{ "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" [ [ 0.256517 0.203696 0.62807 ] [ 0.743483 0.796304 0.37193 ] [ 0.034762 0.976575 0.856956 ] [ 0.965238 0.023425 0.143044 ] [ 0.151287 0.101895 0.754928 ] [ 0.848713 0.898105 0.245072 ] [ 0.707172 0.192148 0.858531 ] [ 0.325998 0.729678 0.901894 ] [ 0.887859 0.719338 0.796076 ] [ 0.136063 0.195063 0.971276 ] [ 0.292828 0.807852 0.141469 ] [ 0.674002 0.270322 0.098106 ] [ 0.863937 0.804937 0.028724 ] [ 0.112141 0.280662 0.203924 ] [ 0.992937 0.370735 0.604667 ] [ 0.523829 0.040635 0.647623 ] [ 0.644345 0.700541 0.49177 ] [ 0.355655 0.299459 0.50823 ] [ 0.349118 0.432969 0.675964 ] [ 0.476171 0.959365 0.352377 ] [ 0.167588 0.976603 0.576999 ] [ 0.650882 0.567031 0.324036 ] [ 0.007063 0.629265 0.395333 ] [ 0.832412 0.023397 0.423001 ] ] } "species" { "source-value" [ "Te" "Te" "W" "W" "N" "N" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.39145697229 "source-unit" "angstrom" } "b" { "source-value" 6.41383877702 "source-unit" "angstrom" } "c" { "source-value" 14.298633768 "source-unit" "angstrom" } "alpha" { "source-value" 83.8736502859 "source-unit" "degree" } "beta" { "source-value" 86.5410903153 "source-unit" "degree" } "gamma" { "source-value" 80.8966658352 "source-unit" "degree" } }