{ "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" [ [ 0.514825 0.027115 0.197206 ] [ 0.485175 0.972885 0.802794 ] [ 0.033983 0.508309 0.205249 ] [ 0.966017 0.491691 0.794751 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.443454 0.444005 0.605816 ] [ 0.556546 0.555995 0.394184 ] [ 0 0 0 ] [ 0.310495 0.304517 0.435042 ] [ 0.689505 0.695483 0.564958 ] [ 0.2216 0.21994 0.675522 ] [ 0.7784 0.78006 0.324478 ] [ 0.542254 0.545149 0.801916 ] [ 0.457746 0.454851 0.198084 ] [ 0.929058 0.920855 0.816218 ] [ 0.070942 0.079145 0.183782 ] [ 0.70121 0.229787 0.636307 ] [ 0.29879 0.770213 0.363693 ] [ 0.223598 0.696369 0.633823 ] [ 0.776402 0.303631 0.366177 ] [ 0.297855 0.802182 0.000877 ] [ 0.702145 0.197818 0.999123 ] [ 0.80927 0.719081 0.03745 ] [ 0.19073 0.280919 0.96255 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "La" "Mg" "Re" "Re" "Re" "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" 5.67477479 "source-unit" "angstrom" } "b" { "source-value" 5.67696179 "source-unit" "angstrom" } "c" { "source-value" 10.26284944 "source-unit" "angstrom" } "alpha" { "source-value" 93.37332607 "source-unit" "degree" } "beta" { "source-value" 93.4318186 "source-unit" "degree" } "gamma" { "source-value" 90.72262542 "source-unit" "degree" } }