{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.419698 0.633047 0.218616 ] [ 0.080302 0.133047 0.281384 ] [ 0.580302 0.366953 0.781384 ] [ 0.919698 0.866953 0.718616 ] [ 0.889953 0.662476 0.201729 ] [ 0.610047 0.162476 0.298271 ] [ 0.110047 0.337524 0.798271 ] [ 0.389953 0.837524 0.701729 ] [ 0.779273 0.707133 0.391519 ] [ 0.720727 0.207133 0.108481 ] [ 0.220727 0.292867 0.608481 ] [ 0.279273 0.792867 0.891519 ] [ 0.664529 0.60152 0.026837 ] [ 0.835471 0.10152 0.473163 ] [ 0.335471 0.39848 0.973163 ] [ 0.164529 0.89848 0.526837 ] [ 0.577572 0.998544 0.737203 ] [ 0.922428 0.498544 0.762797 ] [ 0.422428 0.001456 0.262797 ] [ 0.077572 0.501456 0.237203 ] [ 0.479402 0.643847 0.609644 ] [ 0.020598 0.143847 0.890356 ] [ 0.520598 0.356153 0.390356 ] [ 0.979402 0.856153 0.109644 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "As" "As" "As" "As" "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" 6.83591309176 "source-unit" "angstrom" } "b" { "source-value" 7.28856735 "source-unit" "angstrom" } "c" { "source-value" 6.99197319047 "source-unit" "angstrom" } "beta" { "source-value" 105.301096559 "source-unit" "degree" } }