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=38422.60307208432 stress="-5042.406580996269 -297.50483176929475 221.13022707677845 -297.50483176929475 -6626.694417842847 2569.6428464953897 221.13022707677845 2569.6428464953897 -5698.684361822955" pbc="T T F" U 0.00040932 -0.24548733 0.14641824 18567.71757376 9215.80611335 -38401.57785309 U 1.52087968 1.35985531 0.28182057 -12700.13014476 47995.14224706 -77666.56066574 U 1.77858419 0.17257056 1.52401083 -33339.45468179 -78246.22106402 83909.10887708 U 0.05665330 1.47993581 1.66350831 27471.86725279 21035.27270361 32159.02964176