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=275.86793028715124 stress="-0.0015703094420233027 -0.0005892423034982286 -0.0002985672310979396 -0.0005892423034982286 -0.001564997711974359 -0.000505447006107488 -0.0002985672310979396 -0.000505447006107488 -0.0015471936257264887" free_energy=275.86793028715124 pbc="F F F" Li 35.09422625 34.75283426 35.01268590 -9.20455395 -12.22726300 -11.73271033 Li 35.93091508 35.86011778 36.08364230 6.15286989 12.65402740 9.81812101 Li 37.63503556 37.64764014 34.57200787 -1.81186804 -3.14453061 -4.52224183 Li 38.38497491 38.96861112 36.23357751 -7.29177036 -5.23184320 -5.94108333 Li 37.88054870 35.23979690 37.29198941 -9.24937285 -18.83026279 -19.34781000 Li 38.52171412 36.13498414 38.37825137 11.88657132 14.43526950 20.29289566 Li 34.87462746 37.72355078 37.86757022 -5.00536760 -2.53547071 -1.06746375 Li 36.58873811 39.04646437 38.46040137 -30.24477660 -11.60548890 20.15636322 Li 40.24602087 35.31141683 34.58263538 -4.34556886 -3.11744261 -7.32757063 Li 41.10517360 36.13907971 36.30725639 -20.27252455 12.20057516 -9.13027248 Li 42.85876582 37.45780484 35.39619873 -18.01181898 -14.99922281 -21.18655682 Li 43.78879295 38.30390332 36.21320355 21.32025220 19.77932184 18.97167672 Li 42.23608819 35.40990557 37.04595388 22.77480548 -16.95638563 16.99764088 Li 43.97352057 36.33691994 39.35461476 7.60070919 -7.68871385 -2.85337584 Li 40.01932057 37.70208627 37.45712777 -0.97374079 -0.66302093 -1.38174023 Li 40.97510053 38.81994261 38.91519986 0.92512276 -0.02872679 -2.78025785 Li 35.48996081 40.37257580 35.19572470 -16.06511495 -24.06625398 -17.03714842 Li 36.21957554 41.44600211 35.98658968 12.69198104 14.51538155 18.04078033 Li 37.36719999 42.82042023 34.82462063 -21.71168647 -8.79346100 -31.53879998 Li 38.30582680 43.30218815 35.78200207 25.32197891 16.00432463 25.74051836 Li 37.72026670 39.55474087 37.81964822 25.84293532 18.99654976 -6.17716673 Li 39.16710197 41.26327794 38.63838112 -5.56170903 3.47431151 0.99662891 Li 35.24881469 42.72971234 37.65411293 -13.79397224 -6.73504861 -8.93396122 Li 36.29904438 43.51891327 38.80549514 8.17988422 11.51860883 6.65560243 Li 39.94365559 39.54493262 35.47017264 12.78398900 4.00679065 -8.98723324 Li 41.30165646 41.56582438 36.22645363 13.75469727 -11.88417839 -8.91030460 Li 42.13466984 42.61596429 34.74414119 3.31073282 4.48325525 -8.98415242 Li 44.01901207 44.08485470 35.98859410 0.97887082 0.59907687 1.42254226 Li 42.17641596 40.37177288 37.90464583 -13.25769442 -8.43746073 -7.76741820 Li 43.70474381 40.93706356 38.45916577 28.00092875 -7.69711520 -7.57082301 Li 40.06396316 42.23234624 37.05566496 -15.95205858 11.01587301 6.27486945 Li 41.17180890 43.68820598 38.58446611 0.31516625 4.54810599 2.54467343 Li 35.06369621 34.53672986 39.70441648 -0.99759487 -3.38276703 -3.45491000 Li 35.55157984 36.21543051 41.30999123 -3.57717169 -9.13139911 -5.00992583 Li 36.99905727 36.82301000 40.11236510 7.15401736 4.53441058 -3.56766522 Li 39.31449952 38.61595596 40.46176971 -17.60723706 -31.87845862 2.50489144 Li 37.70832757 35.20862639 42.74757830 -7.37448667 -8.22399161 -7.53395142 Li 38.88449596 36.21297423 43.84187661 7.63819577 6.93935871 9.52913933 Li 35.08561145 37.21000786 42.74169500 -10.36838186 0.71632403 7.75361993 Li 36.00546956 38.64345208 43.68766887 5.60693079 8.77602843 6.44119698 Li 40.28762760 35.12918569 40.39540035 -17.48397023 -13.98370244 -5.98625763 Li 41.64835187 36.06392501 40.76888898 12.71310303 9.08633815 -1.78140736 Li 42.68364308 37.90893301 39.63424294 -7.48814037 -3.28901609 -10.81071867 Li 43.62392321 38.74372177 40.84732821 11.08169540 9.81792311 13.58557108 Li 42.86824800 35.35366959 42.32179742 -11.17312031 -11.02550570 -7.41554510 Li 44.04023768 35.95887227 43.36171439 15.74415078 8.93603174 13.98027178 Li 40.14053174 37.33349460 41.90090612 0.36495734 0.27551999 7.31733554 Li 41.56693248 39.00498862 43.88938876 -12.24693580 -15.39996202 14.57729252 Li 35.36967556 39.82156676 40.74249815 -10.00233852 -15.64411231 -2.29889427 Li 36.24559977 41.31947911 41.00825786 5.11067200 3.89547130 0.08536859 Li 37.45567197 42.77762239 40.43326964 6.28747323 1.61350263 -2.46030840 Li 38.80016061 43.90239860 41.65500615 -2.47961639 13.23939709 0.85386211 Li 38.27984275 40.00785714 42.58591590 0.51752557 -7.29866718 -4.41889642 Li 38.03060008 41.43624808 44.02103556 -0.36537629 5.68881905 7.71392662 Li 35.43558749 42.41775308 42.71598545 -11.34680366 -21.20186060 -17.99939745 Li 35.77483765 43.47181908 43.71543082 7.94705507 25.10151404 23.31337879 Li 39.72735552 40.00776205 40.27716884 -8.23349051 16.96797343 -4.87728664 Li 40.82313596 41.08244283 40.79661175 21.27278180 12.65045951 4.30607750 Li 42.98847692 42.04104595 39.51357032 -6.31021103 15.79629282 16.00582767 Li 43.96839531 43.60309583 41.75880786 0.00177227 2.93645317 -2.50181274 Li 42.37672249 40.04527534 42.90165242 9.49116808 13.00577270 -14.44756337 Li 43.90355896 41.88380115 43.46012615 1.91672079 -0.40998027 3.21539195 Li 39.94945670 42.38672959 42.12816402 3.51714661 -4.16084064 6.66188366 Li 41.19620354 43.96975974 43.62792980 1.60161238 1.46309091 1.98528328