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=-0.16262387747139218 stress="0.07650311650885236 0.006283202323283691 -0.027204090958343467 0.006283202323283691 0.0739186408356591 -0.03148681835710919 -0.027204090958343467 -0.03148681835710919 0.09429872744236663" free_energy=-0.16262387747139218 pbc="F F T"
H       0.21736445       0.20384132       2.79224623       0.83448061       1.39209537      -1.46384955 
H       1.23214964       1.50041025       0.25551247      -0.93087352      -0.73816080       0.19499120 
H       1.35444624       0.06482696       1.50206273      -0.82452047       0.33616659       0.59071331 
H       0.01821382       1.20575425       1.46963223       0.92091338      -0.99010116       0.67814503