{ "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" [ [ 0.287461 0.084813 0.612836 ] [ 0.712539 0.915187 0.387164 ] [ 0.884069 0.547282 0.801923 ] [ 0.115931 0.452718 0.198077 ] [ 0.781797 0.358869 0.011519 ] [ 0.218203 0.641131 0.988481 ] [ 0.542309 0.589262 0.311176 ] [ 0.457691 0.410738 0.688824 ] [ 0.791042 0.929448 0.118616 ] [ 0.208958 0.070552 0.881384 ] [ 0.617944 0.933816 0.697295 ] [ 0.382056 0.066184 0.302705 ] [ 0.052958 0.756794 0.540262 ] [ 0.947042 0.243206 0.459738 ] ] } "species" { "source-value" [ "Bi" "Bi" "Te" "Te" "Te" "Te" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.51445879334 "source-unit" "angstrom" } "b" { "source-value" 8.0440601375 "source-unit" "angstrom" } "c" { "source-value" 9.36347184727 "source-unit" "angstrom" } "alpha" { "source-value" 91.5713809881 "source-unit" "degree" } "beta" { "source-value" 102.758689471 "source-unit" "degree" } "gamma" { "source-value" 94.7617630462 "source-unit" "degree" } }