4 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=13680.430162816281 stress="-2317.1168805246157 -573.7114441984436 -908.8579042891921 -573.7114441984436 -1848.3218262458279 791.4506126232957 -908.8579042891921 791.4506126232957 -2035.2073236338167" pbc="T F F" Na 0.12000606 0.05681930 0.11950962 -15402.20773817 -5897.05969551 -17277.79263732 Na 1.68667975 1.43071378 0.29612946 -8522.13059121 29998.59171332 -39214.81603344 Na 1.34371123 0.19810058 1.21999209 8073.05843106 -32150.65983695 40170.25651122 Na 0.03151538 1.70073357 1.20207718 15851.27989831 8049.12781914 16322.35215954