{ "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" [ [ 0.863196 0.709317 0.723577 ] [ 0.136804 0.290683 0.276423 ] [ 0.782989 0.178301 0.801645 ] [ 0.217011 0.821699 0.198355 ] [ 0.768762 0.808848 0.171492 ] [ 0.231238 0.191152 0.828508 ] [ 0.6602 0.409653 0.167036 ] [ 0.3398 0.590347 0.832964 ] [ 0.649192 0.177631 0.407476 ] [ 0.350808 0.822369 0.592524 ] [ 0.016597 0.143883 0.854945 ] [ 0.983403 0.856117 0.145055 ] [ 0.712857 0.36567 0.354757 ] [ 0.287143 0.63433 0.645243 ] [ 0.780257 0.3284 0.029996 ] [ 0.219743 0.6716 0.970004 ] [ 0.760852 0.023914 0.312062 ] [ 0.239148 0.976086 0.687938 ] [ 0.749272 0.285354 0.644165 ] [ 0.250728 0.714646 0.355835 ] [ 0.73405 0.658049 0.269617 ] [ 0.26595 0.341951 0.730383 ] [ 0.594802 0.933987 0.686786 ] [ 0.405198 0.066013 0.313214 ] [ 0.588235 0.694627 0.951378 ] [ 0.411765 0.305373 0.048622 ] ] } "species" { "source-value" [ "K" "K" "Al" "Al" "Si" "Si" "Si" "Si" "Si" "Si" "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" 7.32094592 "source-unit" "angstrom" } "b" { "source-value" 7.72143668 "source-unit" "angstrom" } "c" { "source-value" 8.00889875 "source-unit" "angstrom" } "alpha" { "source-value" 112.87465776 "source-unit" "degree" } "beta" { "source-value" 104.37137837 "source-unit" "degree" } "gamma" { "source-value" 103.67953003 "source-unit" "degree" } }