{ "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 0.5 0.5 ] [ 0.687532 0.285489 0.304842 ] [ 0.312468 0.714511 0.695158 ] [ 0.308642 0.621617 0.354988 ] [ 0.691358 0.378383 0.645012 ] [ 0.746716 0.32601 0.068198 ] [ 0.082577 0.996942 0.712705 ] [ 0.917423 0.003058 0.287295 ] [ 0.253284 0.67399 0.931802 ] ] } "species" { "source-value" [ "Pd" "Se" "Se" "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" 5.04184234126 "source-unit" "angstrom" } "b" { "source-value" 7.39545231915 "source-unit" "angstrom" } "c" { "source-value" 9.36814973037 "source-unit" "angstrom" } "alpha" { "source-value" 106.468153566 "source-unit" "degree" } "beta" { "source-value" 95.8089145107 "source-unit" "degree" } "gamma" { "source-value" 91.7602981458 "source-unit" "degree" } }