{ "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" [ [ 0.750742 0.009095 0.220973 ] [ 0.249258 0.990905 0.779027 ] [ 0.249258 0.509095 0.779027 ] [ 0.750742 0.490905 0.220973 ] [ 0.794575 0.75 0.657948 ] [ 0.205425 0.25 0.342052 ] [ 0.712825 0.25 0.576685 ] [ 0.287175 0.75 0.423315 ] [ 0.731063 0.75 0.945939 ] [ 0.268937 0.25 0.054061 ] [ 0.53071 0.75 0.839799 ] [ 0.96148 0.75 0.885787 ] [ 0.46929 0.25 0.160201 ] [ 0.182926 0.943905 0.331647 ] [ 0.182926 0.556095 0.331647 ] [ 0.18116 0.75 0.589285 ] [ 0.81884 0.25 0.410715 ] [ 0.817074 0.443905 0.668353 ] [ 0.817074 0.056095 0.668353 ] [ 0.408597 0.25 0.563354 ] [ 0.700593 0.75 0.090657 ] [ 0.299407 0.25 0.909343 ] [ 0.591403 0.75 0.436646 ] [ 0.03852 0.25 0.114213 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Ti" "Ti" "P" "P" "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" 5.11468067599 "source-unit" "angstrom" } "b" { "source-value" 6.39912156 "source-unit" "angstrom" } "c" { "source-value" 8.59754536722 "source-unit" "angstrom" } "beta" { "source-value" 93.4754408826 "source-unit" "degree" } }