{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.833058 0.25 0.080156 ] [ 0.223804 0.052383 0.282912 ] [ 0.223804 0.447617 0.282912 ] [ 0.776196 0.552383 0.717088 ] [ 0.776196 0.947617 0.717088 ] [ 0.166942 0.75 0.919844 ] [ 0.730457 0.25 0.40504 ] [ 0.269543 0.75 0.59496 ] [ 0.752959 0.75 0.339129 ] [ 0.247041 0.25 0.660871 ] [ 0.708531 0.75 0.020636 ] [ 0.291469 0.25 0.979364 ] [ 0.235245 0.25 0.116894 ] [ 0.915397 0.75 0.117773 ] [ 0.470776 0.75 0.063166 ] [ 0.836833 0.063451 0.310691 ] [ 0.836833 0.436549 0.310691 ] [ 0.405642 0.25 0.412575 ] [ 0.145366 0.75 0.418907 ] [ 0.854634 0.25 0.581093 ] [ 0.594358 0.75 0.587425 ] [ 0.163167 0.563451 0.689309 ] [ 0.163167 0.936549 0.689309 ] [ 0.529224 0.25 0.936834 ] [ 0.084603 0.25 0.882227 ] [ 0.764755 0.75 0.883106 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Si" "Si" "Sb" "Sb" "C" "C" "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" 5.04498712 "source-unit" "angstrom" } "b" { "source-value" 6.87162295 "source-unit" "angstrom" } "c" { "source-value" 9.07251978 "source-unit" "angstrom" } "beta" { "source-value" 93.34798441 "source-unit" "degree" } }