{ "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" [ [ 0.291667 0.734775 0.172443 ] [ 0.708333 0.265225 0.827557 ] [ 0.260464 0.205846 0.163954 ] [ 0.739536 0.794154 0.836046 ] [ 0.271575 0.501653 0.668217 ] [ 0.728425 0.498347 0.331783 ] [ 1 0 0.5 ] [ 0.202328 0.9254 0.778767 ] [ 0.797672 0.0746 0.221233 ] [ 0.737732 0.146953 0.382103 ] [ 0.262268 0.853047 0.617897 ] [ 0.852648 0.721546 0.410246 ] [ 0.718424 0.347261 0.478494 ] [ 0.454383 0.44623 0.239605 ] [ 0.041594 0.213669 0.069382 ] [ 0.206436 0.066867 0.32623 ] [ 0.750765 0.037198 0.331944 ] [ 0.249235 0.962802 0.668056 ] [ 0.281576 0.652739 0.521506 ] [ 0.793563 0.933133 0.67377 ] [ 0.147352 0.278454 0.589754 ] [ 0.153077 0.535093 0.816922 ] [ 0.545617 0.55377 0.760395 ] [ 0.958406 0.786331 0.930618 ] [ 0.631853 0.87444 0.964713 ] [ 0.368147 0.12556 0.035287 ] [ 0.846923 0.464907 0.183078 ] ] } "species" { "source-value" [ "K" "K" "Cr" "Cr" "Cr" "Cr" "Co" "H" "H" "H" "H" "O" "O" "O" "O" "O" "O" "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" 6.96124131858 "source-unit" "angstrom" } "b" { "source-value" 7.81672030122 "source-unit" "angstrom" } "c" { "source-value" 7.95697806351 "source-unit" "angstrom" } "alpha" { "source-value" 89.5778854594 "source-unit" "degree" } "beta" { "source-value" 98.5645131746 "source-unit" "degree" } "gamma" { "source-value" 116.343325331 "source-unit" "degree" } }