64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3.174044754157558 stress="-0.00047655139973752436 -0.00022411960160899672 -0.0003912566849917979 -0.00022411960160899672 -0.0003195357234218138 2.670607251325034e-05 -0.0003912566849917979 2.670607251325034e-05 -0.00030195609346673477" free_energy=-3.174044754157558 pbc="F F F" O 34.75900849 35.18525799 35.18408192 -6.55357620 -2.26658368 -2.42804972 O 36.59933616 35.93572417 35.98055861 1.14404553 -10.55890079 10.69542650 O 37.14715992 37.22516294 35.23402360 4.96174995 14.36862318 -6.57563605 O 38.17972598 38.78131475 35.96390753 -0.87164644 1.84990738 -2.38692978 O 37.29465675 34.93158033 37.83765651 -5.56877454 -2.46848464 1.81788212 O 38.85840215 35.76443239 38.52583685 5.54621485 0.47632034 -3.20221627 O 34.64671032 37.87128473 37.80973961 2.65990492 0.55008867 0.98530350 O 36.55604684 39.07636534 38.99475015 -0.52427577 12.53955237 -8.10838126 O 40.44932342 35.75562935 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