16 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-5.806058121819153 stress="0.00013905453275098794 4.061065749730656e-05 9.998358036771044e-05 4.061065749730656e-05 0.00012492871700127428 2.2669452001627993e-05 9.998358036771044e-05 2.2669452001627993e-05 0.0001137655344791264" free_energy=-5.806058121819153 pbc="F F F" N 20.89362841 21.23573857 21.02724172 2.04128718 1.43459653 1.94805663 N 22.27538150 22.20296332 22.34887301 -1.35441899 -1.81972123 -1.59125405 N 24.51851746 20.78984966 20.98735431 0.33914600 0.65047113 0.78228673 N 25.42299150 22.40698366 22.66380800 -0.77016237 -0.56545675 -0.54200611 N 20.99914932 24.10113602 20.99912398 0.24719427 -0.12513674 0.04517752 N 22.76120756 25.51193751 23.01462087 0.57473240 -1.38869714 0.34984021 N 23.81270094 24.04396501 21.07236142 -0.34738324 -0.12440579 0.19736819 N 25.65348027 25.73854596 22.56516853 -0.02046424 -0.10450551 0.09242700 N 20.78229695 21.02031036 24.34455803 0.51527174 0.38028230 0.40487044 N 22.52015752 22.37013631 25.77711528 -0.43647576 -0.30881095 -0.54700072 N 23.73558317 20.75213077 23.73125112 -0.50753408 0.84248302 -0.76268137 N 25.21824351 22.63616082 25.26429260 -0.37507882 0.43952166 -0.49280980 N 21.12968218 24.21980528 24.29977655 1.24061234 0.86908930 0.68460645 N 22.68543805 25.45460942 25.57327937 -1.25872160 -0.45151170 -0.35033867 N 24.19989723 24.12961200 23.87425859 0.61690048 0.86811379 0.35897088 N 25.65720406 25.26564846 25.38507600 -0.50490532 -0.59631193 -0.57751332