32 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=295.91101375530025 stress="-4.635483081471896 -0.0016408893952829893 -0.2536972250001612 -0.0016408893952829893 -4.668105877227623 -0.020968303614486327 -0.2536972250001612 -0.020968303614486327 -4.761694872461611" free_energy=295.91101375530025 pbc="F F F" U 0.13918523 0.15050642 0.00239915 -36.63645881 -24.45497415 -39.30804903 U 1.54278917 1.81445288 0.24421963 13.77468721 -8.49580370 -68.15230611 U 1.59176916 0.06487656 1.51477119 15.12263906 -80.09959723 -40.07141811 Mo 0.29553441 1.12542095 1.41471825 -42.85617246 1.33609972 -9.17742114 Mo 2.70763472 0.12771106 0.02805905 15.71305438 -19.31349303 -24.52505909 Mo 4.24216602 1.60298172 0.04683757 7.08908774 -0.10694187 -18.20471281 U 4.54263272 0.18292312 1.50795275 23.22988856 -18.97454545 -4.28784586 Mo 2.74043896 1.71547056 1.51635763 35.87380364 13.11019230 -8.60958873 U 0.04797327 3.07357878 0.25900491 -64.17672706 14.69809518 -38.13148116 Mo 1.38008494 4.75685297 0.12784938 8.79202112 18.44088451 -16.39499788 U 1.33079555 2.98887480 1.64605306 -6.72860809 57.79814097 17.99386380 U 0.01942903 4.79417082 1.70408111 -22.07545392 25.78026082 11.61444204 Mo 2.83428819 2.74764908 0.03691384 17.07077693 4.08648875 -20.34350630 U 4.20677130 4.57736569 0.22577322 17.21405110 27.75532694 -36.68884267 U 4.64977756 3.09364432 1.56950712 34.92754819 -15.86895289 6.56358713 Mo 3.03273964 4.57675992 1.18963901 -18.77381864 13.03095210 7.11958084 U 0.29497883 0.29119256 2.80691229 -78.29546883 -48.70851159 26.28864763 U 1.61828243 1.44564997 2.74841186 10.37132056 45.05506109 41.64515445 Mo 1.22616616 0.00795817 4.26680101 -2.66401707 -30.37110786 34.41324369 U 0.19215061 1.66717744 4.64995810 -48.73357005 -24.45495262 34.59320816 U 2.75491735 0.16523617 2.88290997 43.84113375 -60.18495574 19.04790962 Mo 4.37846166 1.63143805 3.18360837 19.21668127 2.99385593 15.98996428 Mo 4.58854084 0.09207977 4.32706660 8.42391498 -5.45297808 9.94632489 Mo 3.20359985 1.07569689 4.22822113 15.48569607 3.84543963 25.01834128 Mo 0.15154029 2.58224477 3.29811016 -27.67700205 12.35594884 -12.89945555 Mo 1.84461327 4.26010779 3.17562963 4.04124072 17.82004251 -8.26102531 U 1.55926218 2.72754451 4.73715536 43.51654327 11.30136258 39.75107034 U 0.02704010 4.28209294 4.48656723 -18.93957497 22.48554885 8.33503239 Mo 2.98688953 3.20470050 2.77493780 9.77816112 10.08784324 8.92069694 Mo 4.56636242 4.49397598 3.11781300 8.56172759 12.40182621 7.69348639 Mo 4.59789440 3.46045266 4.36129912 8.76078597 -0.08460239 10.22889506 U 2.64930402 4.75219415 4.62370952 6.75210872 22.18804643 19.89226081