{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.520521 0.441569 0.160819 ] [ 0.292462 0.724468 0.520206 ] [ 0.972396 0.059776 0.73272 ] [ 0.944449 0.881564 0.995056 ] [ 0.414912 0.595002 0.733019 ] [ 0.640946 0.37956 0.377958 ] [ 0.91598 0.129129 0.867006 ] [ 0.427396 0.675891 0.005359 ] [ 0.978672 0.074729 0.135642 ] [ 0.879109 0.050045 0.587747 ] ] } "species" { "source-value" [ "Ca" "Ca" "Fe" "Fe" "Cl" "Cl" "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" 3.56688519836 "source-unit" "angstrom" } "b" { "source-value" 3.79045289652 "source-unit" "angstrom" } "c" { "source-value" 12.9394248358 "source-unit" "angstrom" } "alpha" { "source-value" 91.0025216109 "source-unit" "degree" } "beta" { "source-value" 95.125187986 "source-unit" "degree" } "gamma" { "source-value" 94.7702059281 "source-unit" "degree" } }