{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.162339 0.5 0.873106 ] [ 0.990203 0 0.992229 ] [ 0.997532 0 0.506668 ] [ 0.824378 0.5 0.398582 ] [ 0.662339 0 0.873106 ] [ 0.490203 0.5 0.992229 ] [ 0.497532 0.5 0.506668 ] [ 0.324378 0 0.398582 ] [ 0.176519 0.5 0.511203 ] [ 0.831833 0 0.216597 ] [ 0.844364 0.5 0.985745 ] [ 0.916947 0.252964 0.71438 ] [ 0.916947 0.747036 0.71438 ] [ 0.676519 0 0.511203 ] [ 0.331833 0.5 0.216597 ] [ 0.344364 0 0.985745 ] [ 0.416947 0.752964 0.71438 ] [ 0.416947 0.247036 0.71438 ] [ 0.084097 0.253423 0.215863 ] [ 0.084097 0.746577 0.215863 ] [ 0.171277 0 0.716068 ] [ 0.584097 0.753423 0.215863 ] [ 0.584097 0.246577 0.215863 ] [ 0.671277 0.5 0.716068 ] [ 0.082614 0.232505 0.604531 ] [ 0.011369 0.5 0.329932 ] [ 0.152358 0.5 0.097472 ] [ 0.011616 0 0.322903 ] [ 0.011676 0 0.817307 ] [ 0.082614 0.767495 0.604531 ] [ 0.236793 0.273614 0.327762 ] [ 0.236793 0.726386 0.327762 ] [ 0.153665 0 0.103085 ] [ 0.849565 0 0.612465 ] [ 0.757956 0.274833 0.832634 ] [ 0.757956 0.725167 0.832634 ] [ 0.822911 0.5 0.598124 ] [ 0.92641 0.234917 0.107896 ] [ 0.979602 0.5 0.820177 ] [ 0.92641 0.765083 0.107896 ] [ 0.582614 0.732505 0.604531 ] [ 0.511369 0 0.329932 ] [ 0.652358 0 0.097472 ] [ 0.511616 0.5 0.322903 ] [ 0.511676 0.5 0.817307 ] [ 0.582614 0.267495 0.604531 ] [ 0.736793 0.773614 0.327762 ] [ 0.736793 0.226386 0.327762 ] [ 0.653665 0.5 0.103085 ] [ 0.349565 0.5 0.612465 ] [ 0.257956 0.774833 0.832634 ] [ 0.257956 0.225167 0.832634 ] [ 0.322911 0 0.598124 ] [ 0.42641 0.734917 0.107896 ] [ 0.479602 0 0.820177 ] [ 0.42641 0.265083 0.107896 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 10.75837697 "source-unit" "angstrom" } "b" { "source-value" 6.12774098 "source-unit" "angstrom" } "c" { "source-value" 9.93039512 "source-unit" "angstrom" } "beta" { "source-value" 90.37438061 "source-unit" "degree" } }