{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.707292 0.5 0.007338 ] [ 0.660592 0.5 0.642056 ] [ 0.634975 0.5 0.350162 ] [ 0.206914 0.5 0.509852 ] [ 0.15677 0.5 0.143169 ] [ 0.132026 0.5 0.848336 ] [ 0.366466 0 0.994034 ] [ 0.307948 0 0.320121 ] [ 0.863346 0 0.496245 ] [ 0.824014 0 0.183406 ] [ 0.812171 0 0.819838 ] [ 0.324649 0 0.683489 ] [ 0.997175 0.5 0.334081 ] [ 0.998773 0 0.000708 ] [ 0.000178 0.5 0.666666 ] [ 0.500696 0.5 0.831434 ] [ 0.502069 0 0.500188 ] [ 0.502554 0.5 0.166815 ] [ 0.987712 0.5 0.569622 ] [ 0.9812 0.5 0.23734 ] [ 0.86148 0.5 0.391649 ] [ 0.861117 0.5 0.721562 ] [ 0.84571 0 0.041769 ] [ 0.6541 0.5 0.872001 ] [ 0.6526 0.5 0.210637 ] [ 0.640497 0 0.556298 ] [ 0.516396 0 0.403806 ] [ 0.492582 0.5 0.069615 ] [ 0.483117 0.5 0.734611 ] [ 0.362526 0.5 0.887951 ] [ 0.36084 0.5 0.21956 ] [ 0.348949 0 0.542191 ] [ 0.151569 0.5 0.374865 ] [ 0.15246 0.5 0.708963 ] [ 0.136437 0 0.056449 ] [ 0.012101 0 0.903173 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Fe" "Fe" "Fe" "Fe" "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" 8.26020776 "source-unit" "angstrom" } "b" { "source-value" 3.14897988 "source-unit" "angstrom" } "c" { "source-value" 14.30411983 "source-unit" "angstrom" } "beta" { "source-value" 90.11243794 "source-unit" "degree" } }