{ "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" [ [ 0.715977 0.890793 0.982463 ] [ 0.241701 0.488335 0.617594 ] [ 0.758299 0.511665 0.382406 ] [ 0.284023 0.109207 0.017537 ] [ 0.661992 0.202348 0.654644 ] [ 0 0 0.5 ] [ 0.338008 0.797652 0.345356 ] [ 0 0.5 0 ] [ 0.343113 0.752095 0.021912 ] [ 0.781792 0.532048 0.751144 ] [ 0.844537 0.188289 0.392779 ] [ 0.6412 0.85506 0.550173 ] [ 0.057937 0.234425 0.798093 ] [ 0.942063 0.765575 0.201907 ] [ 0.3588 0.14494 0.449827 ] [ 0.155463 0.811711 0.607221 ] [ 0.218208 0.467952 0.248856 ] [ 0.656887 0.247905 0.978088 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Fe" "Fe" "Fe" "Fe" "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" 6.03122181 "source-unit" "angstrom" } "b" { "source-value" 6.5071412 "source-unit" "angstrom" } "c" { "source-value" 6.53057453 "source-unit" "angstrom" } "alpha" { "source-value" 109.21267979 "source-unit" "degree" } "beta" { "source-value" 96.86839084 "source-unit" "degree" } "gamma" { "source-value" 103.21635695 "source-unit" "degree" } }