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=37446.47683111181 stress="-5454.8911112079795 -511.3841396775609 -177.00118919044758 -511.3841396775609 -3066.15797778139 -1003.5784054008823 -177.00118919044758 -1003.5784054008823 -8371.057517644027" pbc="T F T" K -0.12404364 0.25656273 0.28169637 28290.07416042 -31228.65120116 -23821.37687267 K 1.23547795 1.72452036 -0.04805994 51768.74521301 25184.06199272 25831.77089414 K 1.71674821 0.21104394 1.73657771 -36665.14845708 -24337.88765860 5184.30095204 K 0.13791331 1.72811156 1.50514875 -43393.67091635 30382.47686704 -7194.69497352