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=270848.5178252094 stress="-32942.14547929373 -4453.23443683397 9326.821290387275 -4453.23443683397 -45673.29755738997 -18392.21265833091 9326.821290387275 -18392.21265833091 -42482.77570299686" pbc="F T F"
Pr       0.09549490       0.22988811       0.25273059 -319113.49637032 -701600.43315214 -567350.46717047 
Pr       1.39429483       1.41476400       0.05894979  530797.51429918  130217.85059472 -469655.99166569 
Pr       1.41705932       0.11553486       1.50908561  204924.26384860 -126745.86006948  158011.38990236 
Pr       0.26539661       1.46534986       1.22828353 -416608.28177746  698128.44262689  878995.06893380