{ "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" [ [ 0.306903 0.321009 0.156516 ] [ 0.655483 0.665199 0.331973 ] [ 0.346082 0.357715 0.684069 ] [ 0.668958 0.687811 0.829783 ] [ 0.997567 0.005207 0.504344 ] [ 0.021281 0.969795 0.996575 ] [ 0.348079 0.966704 0.334373 ] [ 0.034929 0.655084 0.667148 ] [ 0.768855 0.761984 0.046041 ] [ 0.228603 0.21614 0.962363 ] [ 0.572687 0.583685 0.619675 ] [ 0.648221 0.048724 0.663995 ] [ 0.957108 0.35583 0.337938 ] [ 0.316335 0.675064 0.996907 ] [ 0.108516 0.113559 0.699505 ] [ 0.424322 0.428216 0.371038 ] [ 0.893006 0.899206 0.298306 ] [ 0.703066 0.289069 0.99945 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "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" 5.61211013 "source-unit" "angstrom" } "b" { "source-value" 5.61977935 "source-unit" "angstrom" } "c" { "source-value" 7.40541357 "source-unit" "angstrom" } "alpha" { "source-value" 70.74297937 "source-unit" "degree" } "beta" { "source-value" 70.63184754 "source-unit" "degree" } "gamma" { "source-value" 70.68391427 "source-unit" "degree" } }