{ "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" [ [ 0.715564 0.749641 0.698369 ] [ 0.715564 0.250359 0.698369 ] [ 0.983176 0.749027 0.284889 ] [ 0.983176 0.250973 0.284889 ] [ 0.301436 0.248765 0.0158 ] [ 0.301436 0.751235 0.0158 ] [ 0.626636 0.5 0.98773 ] [ 0.360386 0 0.372888 ] [ 0.634169 0 0.993267 ] [ 0.358852 0.5 0.365791 ] [ 0.007959 0 0.639922 ] [ 0.00813 0.5 0.640667 ] [ 0.999451 0 0.996516 ] [ 0.001677 0.5 0.001617 ] [ 0.667761 0.749969 0.334928 ] [ 0.667761 0.250031 0.334928 ] [ 0.33189 0.749967 0.666122 ] [ 0.33189 0.250033 0.666122 ] [ 0.892469 0.5 0.807887 ] [ 0.888398 0 0.803031 ] [ 0.861922 0.749754 0.44255 ] [ 0.861922 0.250246 0.44255 ] [ 0.914928 0 0.107462 ] [ 0.919361 0.5 0.112389 ] [ 0.560057 0.745859 0.420757 ] [ 0.560057 0.254141 0.420757 ] [ 0.581633 0.754286 0.141286 ] [ 0.581633 0.245714 0.141286 ] [ 0.52578 0.752826 0.77937 ] [ 0.52578 0.247174 0.77937 ] [ 0.19249 0 0.079803 ] [ 0.196644 0.5 0.084914 ] [ 0.218082 0.750295 0.746158 ] [ 0.218082 0.249705 0.746158 ] [ 0.251925 0.253217 0.472829 ] [ 0.251925 0.746783 0.472829 ] ] } "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" 8.26199864 "source-unit" "angstrom" } "b" { "source-value" 6.28781614 "source-unit" "angstrom" } "c" { "source-value" 8.2674073 "source-unit" "angstrom" } "beta" { "source-value" 119.96939835 "source-unit" "degree" } }