{ "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" [ [ 0.707046 0.5 0.010002 ] [ 0.659299 0.5 0.641457 ] [ 0.633171 0.5 0.348512 ] [ 0.206954 0.5 0.507056 ] [ 0.158638 0.5 0.143184 ] [ 0.132878 0.5 0.849692 ] [ 0.865895 0 0.493419 ] [ 0.808431 0 0.820284 ] [ 0.365538 0 0.994644 ] [ 0.326207 0 0.685435 ] [ 0.824696 0 0.183382 ] [ 0.31278 0 0.320569 ] [ 0.000549 0.5 0.331692 ] [ 0.000562 0 0.00114 ] [ 0.000051 0.5 0.666521 ] [ 0.500056 0.5 0.833589 ] [ 0.498471 0 0.499715 ] [ 0.500961 0.5 0.167854 ] [ 0.990141 0.5 0.569859 ] [ 0.9817 0.5 0.235195 ] [ 0.862855 0.5 0.388843 ] [ 0.859442 0.5 0.720022 ] [ 0.84626 0 0.04157 ] [ 0.652632 0.5 0.875416 ] [ 0.653203 0.5 0.209508 ] [ 0.635589 0 0.556464 ] [ 0.514625 0 0.402511 ] [ 0.488616 0.5 0.070882 ] [ 0.486615 0.5 0.736643 ] [ 0.361429 0.5 0.888883 ] [ 0.361621 0.5 0.222369 ] [ 0.344528 0 0.539381 ] [ 0.154351 0.5 0.371717 ] [ 0.150283 0.5 0.71031 ] [ 0.136905 0 0.058073 ] [ 0.017021 0 0.904205 ] ] } "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" 8.25024308 "source-unit" "angstrom" } "b" { "source-value" 3.16968186 "source-unit" "angstrom" } "c" { "source-value" 14.31506261 "source-unit" "angstrom" } "beta" { "source-value" 90.04609885 "source-unit" "degree" } }