{ "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" [ [ 0.495114 0.489282 0.000454 ] [ 0.496779 0.902467 0.600416 ] [ 0.46337 0.708568 0.798178 ] [ 0.517442 0.084222 0.394576 ] [ 0.526051 0.289653 0.198781 ] [ 0.994539 0.396655 0.600267 ] [ 0.000793 0.805581 0.19563 ] [ 0.002302 0.189681 0.802943 ] [ 0.978468 0.61929 0.40469 ] [ 0.018041 0.011319 0.003729 ] [ 0.816201 0.053024 0.131646 ] [ 0.818227 0.855328 0.332947 ] [ 0.812442 0.247787 0.940361 ] [ 0.804016 0.645758 0.540834 ] [ 0.695087 0.156248 0.537977 ] [ 0.697631 0.353963 0.337909 ] [ 0.699354 0.553318 0.140456 ] [ 0.684033 0.958353 0.738866 ] [ 0.295649 0.643656 0.657163 ] [ 0.317166 0.042642 0.258772 ] [ 0.299665 0.44552 0.861646 ] [ 0.317337 0.24928 0.069204 ] [ 0.3047 0.849386 0.461333 ] [ 0.193167 0.943613 0.868182 ] [ 0.190169 0.745641 0.057974 ] [ 0.176934 0.154262 0.664558 ] [ 0.791397 0.465208 0.743655 ] [ 0.694475 0.752667 0.936674 ] [ 0.196369 0.343965 0.457017 ] [ 0.203082 0.543661 0.263163 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.66634289 "source-unit" "angstrom" } "b" { "source-value" 5.56693505 "source-unit" "angstrom" } "c" { "source-value" 12.89759755 "source-unit" "angstrom" } "alpha" { "source-value" 101.93107313 "source-unit" "degree" } "beta" { "source-value" 90.37013038 "source-unit" "degree" } "gamma" { "source-value" 91.73178353 "source-unit" "degree" } }