16 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-40.995068291732196 stress="-0.0010891693401112016 -0.00022929539832968054 -0.00016536560137689425 -0.00022929539832968054 -0.0009229923196534488 -0.00011308605993232848 -0.00016536560137689425 -0.00011308605993232848 -0.000960987316410229" free_energy=-40.995068291732196 pbc="F F F" U 20.83622872 20.79086443 21.33865591 -0.33853537 0.17087822 -0.16957297 U 22.54997140 22.46055881 22.51518332 -5.13629962 -11.39996568 -3.75202744 U 23.99778436 21.28055862 20.72950407 0.58805962 -3.54794217 -1.83170805 Mo 25.29998375 22.73232047 22.64379487 6.54785864 -3.85178219 1.21300767 Mo 21.24140249 24.48772662 21.24741067 -10.68307269 -2.68335552 -12.58604365 U 22.33342421 25.25381041 22.75912702 5.01905243 15.09720579 9.24410415 Mo 23.74222034 23.85844045 21.19291102 5.36040341 4.41430648 -9.74269535 U 25.22817044 25.34268038 22.69673490 2.36675971 3.38080155 0.98806259 U 20.84323236 21.17171396 24.15809073 -14.44020424 -12.30458750 -8.15787334 U 22.31702931 22.19265376 25.23253452 12.27491732 6.67381892 15.91483878 Mo 23.97172076 20.73116772 24.00060624 2.37396423 -0.45362910 -0.15675087 Mo 25.76554664 22.65599623 25.42244881 -2.78111400 1.79204089 -1.80357339 U 20.93792997 23.78940289 23.96134085 -7.77379822 3.33918425 5.26154059 Mo 22.14697121 25.42360581 25.75902706 0.45551769 -1.67570678 -2.10700604 Mo 23.80021920 23.70934966 24.01446938 6.64162959 3.05769380 7.97507533 Mo 25.15246508 25.25455949 25.28074217 -0.47513849 -2.00896096 -0.28937800