{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.249559 0.486431 0.979452 ] [ 0.238441 0.034092 0.120649 ] [ 0.74852 0.201746 0.185773 ] [ 0.761559 0.534092 0.379351 ] [ 0.25148 0.701746 0.314227 ] [ 0.750441 0.986431 0.520548 ] [ 0.249559 0.013569 0.479452 ] [ 0.74852 0.298254 0.685773 ] [ 0.238441 0.465908 0.620649 ] [ 0.25148 0.798254 0.814227 ] [ 0.761559 0.965908 0.879351 ] [ 0.750441 0.513569 0.020548 ] [ 0.710271 0.829445 0.18294 ] [ 0.289729 0.329445 0.31706 ] [ 0.710271 0.670555 0.68294 ] [ 0.289729 0.170555 0.81706 ] [ 0.458069 0.667508 0.138882 ] [ 0.956241 0.989598 0.201908 ] [ 0.541931 0.167508 0.361118 ] [ 0.043759 0.489598 0.298092 ] [ 0.956241 0.510402 0.701908 ] [ 0.458069 0.832492 0.638882 ] [ 0.043759 0.010402 0.798092 ] [ 0.541931 0.332492 0.861118 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cu" "Cu" "Cu" "Cu" "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" 5.4950814 "source-unit" "angstrom" } "b" { "source-value" 7.87772813 "source-unit" "angstrom" } "c" { "source-value" 6.93590166 "source-unit" "angstrom" } "beta" { "source-value" 116.9913012 "source-unit" "degree" } }