{ "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" [ [ 0.696402 0.75 0.952512 ] [ 0.469932 0.25 0.770618 ] [ 0.260911 0.75 0.536782 ] [ 0.739089 0.25 0.463218 ] [ 0.530068 0.75 0.229382 ] [ 0.303598 0.25 0.047488 ] [ 0.012328 0.25 0.766097 ] [ 0.987672 0.75 0.233903 ] [ 0.214462 0.75 0.948329 ] [ 0.731171 0.75 0.556791 ] [ 0.268829 0.25 0.443209 ] [ 0.785538 0.25 0.051671 ] [ 0.984371 0.75 0.916824 ] [ 0.723273 0.25 0.88697 ] [ 0.303129 0.509034 0.887758 ] [ 0.303129 0.990966 0.887758 ] [ 0.849844 0.508246 0.606091 ] [ 0.849844 0.991754 0.606091 ] [ 0.526548 0.75 0.609581 ] [ 0.274046 0.25 0.608381 ] [ 0.725954 0.75 0.391619 ] [ 0.473452 0.25 0.390419 ] [ 0.150156 0.008246 0.393909 ] [ 0.150156 0.491754 0.393909 ] [ 0.696871 0.009034 0.112242 ] [ 0.696871 0.490966 0.112242 ] [ 0.276727 0.75 0.11303 ] [ 0.015629 0.25 0.083176 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Bi" "Bi" "P" "P" "P" "P" "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" 6.75749913 "source-unit" "angstrom" } "b" { "source-value" 5.34843418 "source-unit" "angstrom" } "c" { "source-value" 9.52471434 "source-unit" "angstrom" } "beta" { "source-value" 96.10016392 "source-unit" "degree" } }