{ "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" [ [ 0.239297 0.435184 0.161083 ] [ 0.239297 0.064816 0.161083 ] [ 0.421444 0.75 0.502977 ] [ 0.578556 0.25 0.497023 ] [ 0.760703 0.935184 0.838917 ] [ 0.760703 0.564816 0.838917 ] [ 0.244722 0.75 0.881785 ] [ 0.755278 0.25 0.118215 ] [ 0.007079 0.75 0.227347 ] [ 0.132561 0.25 0.463358 ] [ 0.280498 0.047149 0.719407 ] [ 0.280498 0.452851 0.719407 ] [ 0.719502 0.952851 0.280593 ] [ 0.719502 0.547149 0.280593 ] [ 0.867439 0.75 0.536642 ] [ 0.992921 0.25 0.772653 ] [ 0.139206 0.392061 0.845043 ] [ 0.139206 0.107939 0.845043 ] [ 0.074668 0.75 0.449878 ] [ 0.080644 0.25 0.239692 ] [ 0.28699 0.38624 0.533975 ] [ 0.28699 0.11376 0.533975 ] [ 0.222201 0.75 0.151003 ] [ 0.414411 0.919201 0.781124 ] [ 0.414411 0.580799 0.781124 ] [ 0.585589 0.080799 0.218876 ] [ 0.585589 0.419201 0.218876 ] [ 0.777799 0.25 0.848997 ] [ 0.71301 0.88624 0.466025 ] [ 0.71301 0.61376 0.466025 ] [ 0.919356 0.75 0.760308 ] [ 0.925332 0.25 0.550122 ] [ 0.860794 0.892061 0.154957 ] [ 0.860794 0.607939 0.154957 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "B" "B" "B" "B" "B" "B" "B" "B" "O" "O" "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" 5.81788269 "source-unit" "angstrom" } "b" { "source-value" 8.74558125 "source-unit" "angstrom" } "c" { "source-value" 6.69798284 "source-unit" "angstrom" } "beta" { "source-value" 102.49346774 "source-unit" "degree" } }