32 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=28.409325536747975 stress="-0.000947984165052473 0.00010923125422843342 -1.599842474587894e-05 0.00010923125422843342 -0.0008938666778618322 0.00010886720593553123 -1.599842474587894e-05 0.00010886720593553123 -0.0006111640535775619" free_energy=28.409325536747975 pbc="F F F" O 20.83694141 21.29004398 20.73387496 -0.40706401 1.51089809 1.48587665 O 22.58501927 22.56603388 21.00693356 -2.10896499 -2.90996877 -6.98624133 O 22.66501753 21.22580078 22.42866320 -0.89976320 -2.42270633 3.01797134 O 20.94177862 22.49955875 22.30381683 -1.31374242 -4.72397036 -3.34820188 O 23.94832183 21.43851828 20.96667242 2.57896481 -0.38468608 -3.83292679 O 25.77143892 22.40295338 21.29443622 0.73802496 -4.97724706 -0.07117961 O 25.74759167 21.11018303 22.42518197 2.09208680 1.27777848 -1.55839821 O 23.71514513 22.48702489 22.44857885 0.76896079 -7.52937027 4.04726913 O 21.18843096 24.17061300 21.24453430 -6.34028207 10.82424109 5.59456199 O 22.25216167 25.44630638 20.73924045 1.84081217 2.23917236 -1.32645432 O 22.64982991 23.74795387 22.34158846 1.96456167 1.35662208 1.03496584 O 21.03087126 25.10633079 22.29731885 -2.73658096 -4.44903134 -6.56937950 O 24.28095696 23.97558512 21.26008946 2.16414025 1.04733104 -3.97562881 O 25.37675974 25.32230465 21.28460712 2.44549085 5.46111541 -1.86342679 O 25.25346517 23.91576364 22.27715687 5.20444679 -2.58745733 -1.52126142 O 23.74014891 25.43198894 22.32743118 -4.42077842 4.27799280 -1.68277545 O 20.79546282 20.70940621 23.88310396 -1.17753828 -0.90187604 0.28659482 O 22.22956938 22.33885520 24.18453754 -3.48166739 -2.52600851 3.11580096 O 22.73010044 21.13372728 25.62528982 1.45646465 0.12631650 -2.65373649 O 21.12033173 22.67828948 25.70692126 0.86458591 1.31909802 -0.30609978 O 23.79301824 20.73241985 24.07255377 -1.37910438 -3.71238450 1.32977717 O 25.51129231 22.51258782 24.16911338 1.95270553 -0.67728669 2.97266476 O 25.33553433 21.12365747 25.45588739 -0.25892554 0.50531994 -0.57031665 O 24.14343313 22.34681875 25.36894099 1.49499537 -2.15636336 3.09066654 O 21.04737131 24.03238783 24.24404962 -3.17131493 1.90174840 2.55933131 O 22.36810690 25.62937675 23.82984801 -1.05334583 2.55646936 1.82245189 O 22.59119645 23.79640878 25.71456242 -1.57523885 1.60607470 3.96375503 O 21.20502395 25.35263676 25.39715813 0.53059450 -1.73836725 -1.93527743 O 23.83178173 23.88323780 23.76192411 1.65287088 2.73896750 1.91703465 O 25.63870608 25.16671434 24.12263099 0.67323035 -0.31622381 4.19959898 O 25.54530481 23.95206007 25.62593290 1.97065429 2.34328956 -2.27432932 O 23.84000708 25.39901191 25.37554802 -0.06927932 0.92051240 0.03731273