{ "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" [ [ 0.716179 0.750553 0.698201 ] [ 0.716179 0.249447 0.698201 ] [ 0.98325 0.750014 0.284428 ] [ 0.98325 0.249986 0.284428 ] [ 0.301681 0.250331 0.016975 ] [ 0.301681 0.749669 0.016975 ] [ 0.627473 0 0.987821 ] [ 0.627297 0.5 0.987723 ] [ 0.359514 0.5 0.371931 ] [ 0.012307 0 0.639876 ] [ 0.359407 0 0.367022 ] [ 0.006971 0.5 0.639845 ] [ 0.000367 0 0.003042 ] [ 0.002251 0.5 0.9994 ] [ 0.666618 0.750121 0.334226 ] [ 0.666618 0.249879 0.334226 ] [ 0.332096 0.750001 0.665212 ] [ 0.332096 0.249999 0.665212 ] [ 0.888796 0.5 0.804887 ] [ 0.888186 0 0.809664 ] [ 0.860449 0.74613 0.442047 ] [ 0.860449 0.25387 0.442047 ] [ 0.920392 0 0.116742 ] [ 0.920808 0.5 0.111818 ] [ 0.558514 0.754351 0.419924 ] [ 0.558514 0.245649 0.419924 ] [ 0.581137 0.74972 0.140939 ] [ 0.581137 0.25028 0.140939 ] [ 0.52623 0.750373 0.777668 ] [ 0.52623 0.249627 0.777668 ] [ 0.195167 0 0.084151 ] [ 0.195712 0.5 0.078956 ] [ 0.219685 0.747532 0.746895 ] [ 0.219685 0.252468 0.746895 ] [ 0.251836 0.247919 0.472042 ] [ 0.251836 0.752081 0.472042 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "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" 8.25338431 "source-unit" "angstrom" } "b" { "source-value" 6.34106377 "source-unit" "angstrom" } "c" { "source-value" 8.26642555 "source-unit" "angstrom" } "beta" { "source-value" 119.87310581 "source-unit" "degree" } }