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=-63.65396244490331 stress="-1.6656370409576083e-06 9.183812537946805e-05 0.00011579264617526718 9.183812537946805e-05 3.294605847777308e-05 7.784075685119154e-05 0.00011579264617526718 7.784075685119154e-05 8.32470296048921e-05" free_energy=-63.65396244490331 pbc="F F F" Mo 20.85540510 21.11115480 21.11044915 1.01433142 1.07555641 2.15490012 Mo 22.70960170 22.31143450 22.19032222 -7.45487806 1.67359221 1.90717157 Mo 23.78829595 20.89839703 21.13492844 0.58886604 -4.21841170 -3.35639913 Mo 25.11939601 22.36019585 22.32834452 5.76987091 1.59501197 0.96874420 Mo 20.87679405 23.95894820 21.20259391 0.32320634 -0.98044400 0.60403000 Mo 22.56504129 25.20865944 22.36550211 -4.35995199 4.48016306 1.04863822 Mo 23.78802619 24.22277084 21.18584377 4.29778255 0.81781651 -4.79240939 Mo 25.68362810 25.69581920 22.64685009 -1.88838009 -1.52241950 0.85065355 Mo 21.26959405 21.17626233 23.67070616 0.14682618 0.55094410 -0.12500263 Mo 22.62982735 22.23603676 25.65300231 0.30801083 0.60232381 -3.26502806 Mo 24.03848316 20.95774659 23.91852158 -0.16023408 0.46561137 3.55074433 Mo 25.45789336 22.47899588 25.27041603 -2.54248351 0.51973537 -1.62633248 Mo 21.19178619 24.17895518 24.29140871 1.58203904 -0.77216920 0.75281218 Mo 22.61455359 25.53253581 25.64904689 0.78440357 -2.16409902 -1.92102213 Mo 23.78091226 24.10609294 23.96603997 3.80929508 -0.86724668 4.95963627 Mo 25.30598025 25.32157598 25.51361598 -2.21870423 -1.25596470 -1.71113660