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=-19.325896698649178 stress="-0.0021809133279343646 -3.426327451745757e-05 -0.000589752920536636 -3.426327451745757e-05 -0.0023080853278453256 -4.17176449809148e-05 -0.000589752920536636 -4.17176449809148e-05 -0.002175678893973785" free_energy=-19.325896698649178 pbc="F F F" U 21.12990665 20.78220450 21.39321057 -2.70764972 -3.64025823 -1.70870431 U 22.56210000 22.63362859 22.53650065 -11.74115239 -12.52084247 -9.32301401 U 23.92547280 21.04852473 21.05473499 1.85170175 -7.15869514 -6.04634140 U 25.41561068 22.63661615 22.45760747 18.89391720 -9.75391080 -0.05666918 U 20.87719504 23.71202889 21.11041876 -11.89708388 -4.53607568 -12.77024869 U 22.11391101 25.33533445 22.24148635 3.78861177 17.97676897 0.57673210 U 24.08611608 23.90610415 21.02598936 -5.34345553 5.36931149 -18.75246803 U 25.22329650 25.46375436 22.40583543 5.76201645 11.03739950 2.94194291 U 20.75559716 20.70178472 24.12105670 -3.25244248 -3.13409927 0.99747954 U 22.27290972 22.38090187 25.36136659 -2.01546898 -3.85942797 10.00901167 U 23.96884694 20.74645637 23.98193431 1.12050393 -10.69973728 2.32490050 U 25.42001865 22.70070203 25.20342959 16.78841542 -10.40444528 15.36224191 U 20.90085166 23.99793547 24.00473659 -10.44472952 2.75748525 5.54648281 U 22.44859265 25.48453339 25.60170120 -0.19406813 2.22395330 1.55155593 U 23.87793365 23.71904386 24.00082602 -2.54626688 22.66672647 7.02897559 U 25.49829518 25.34548147 25.51929976 1.93715100 3.67584712 2.31812267