{ "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" [ [ 0.391057 0.863631 0.638457 ] [ 0.155832 0.17746 0.206729 ] [ 0.786094 0.302743 0.957685 ] [ 0.213906 0.697257 0.042315 ] [ 0.92326 0.25875 0.626782 ] [ 0.07674 0.74125 0.373218 ] [ 0.844168 0.82254 0.793271 ] [ 0.608943 0.136369 0.361543 ] [ 0.66799 0.687176 0.192272 ] [ 0.33201 0.312824 0.807728 ] [ 0.194574 0.089585 0.985067 ] [ 0.805426 0.910415 0.014933 ] [ 0.788166 0.939297 0.551357 ] [ 0.211834 0.060703 0.448643 ] [ 0.36701 0.468375 0.240725 ] [ 0.63299 0.531625 0.759275 ] [ 0.168181 0.575505 0.630823 ] [ 0.831819 0.424495 0.369177 ] ] } "species" { "source-value" [ "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Re" "Re" "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" 5.11914447 "source-unit" "angstrom" } "b" { "source-value" 5.46850282 "source-unit" "angstrom" } "c" { "source-value" 8.81208386 "source-unit" "angstrom" } "alpha" { "source-value" 84.53099997 "source-unit" "degree" } "beta" { "source-value" 79.80122594 "source-unit" "degree" } "gamma" { "source-value" 75.73863964 "source-unit" "degree" } }