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=-0.8733313707232595 stress="0.07927767915775676 0.00888191238020402 0.00020051200439031365 0.00888191238020402 0.07523304239709849 0.004225687288089117 0.00020051200439031365 0.004225687288089117 0.04382583058610253" pbc="T T F" user08 0.18614675 0.23820235 0.22480153 0.19935816 0.18554564 0.45396381 user08 1.38248677 1.71256669 0.12239362 -0.16852132 -0.07451117 0.34258382 user08 1.50249557 0.28150814 1.71071556 0.23487198 0.38555034 -0.39036947 user08 -0.20806204 1.36288255 1.62359328 -0.26570883 -0.49658482 -0.40617816