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=-130.19528299620717 stress="-0.0009897891983922577 2.387783802097911e-05 1.430122204974239e-05 2.387783802097911e-05 -0.0010382498534911334 8.865360025719897e-06 1.430122204974239e-05 8.865360025719897e-06 -0.001082085038239126" free_energy=-130.19528299620717 pbc="F F F" Zr 34.63856575 34.67221567 34.94386693 0.95964964 1.66692996 1.48811247 Zr 36.52479808 35.94067933 36.65822129 -2.15246788 3.92425748 -8.13274613 Zr 37.40028003 37.61586036 34.93980610 -7.92544844 -7.68012807 -6.61504843 Zr 38.45603072 38.79074174 35.65761650 3.83475032 5.26219505 5.12035275 Zr 37.39076477 34.72175198 37.66230082 5.28960986 -7.66229808 5.36324676 Zr 38.85741477 36.88490668 38.45461784 -2.76298628 -1.51286894 5.22892061 Zr 34.95811417 37.06678771 37.75645058 -5.88729295 4.83301546 -4.95165444 Zr 36.07352221 38.55983256 39.16595197 3.02886922 -0.17679745 -4.70414701 Zr 40.00453629 35.25931787 34.95333875 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40.92515821 2.65159224 -1.41251961 4.24806140 Zr 37.75306105 35.01101364 42.33010818 -1.42821640 -1.67652976 -2.53222508 Zr 39.47930915 35.65510683 43.64973678 0.45942139 -2.04184105 5.39183792 Zr 34.60036830 37.03554092 42.32825187 -24.40014061 7.63450508 10.06721045 Zr 35.77831572 38.75264492 43.32558670 -2.93101511 1.28568530 5.77512384 Zr 40.59109890 35.03963468 40.48541819 -2.69415056 -5.46827703 -4.13525083 Zr 41.52067079 36.74196614 41.49631588 22.29740856 -8.30987346 -10.83097858 Zr 42.48598089 37.57163680 40.07532020 -3.40000049 -10.74285050 -12.70925490 Zr 43.25070564 38.76156910 40.76806461 11.76142546 14.67347918 8.26887472 Zr 42.61856859 35.05302833 42.96281563 -9.99125328 -18.59114792 -9.68171077 Zr 43.32945678 36.15649301 43.65918995 11.28110324 17.30726805 11.03556238 Zr 40.39549445 37.08223766 42.20938940 -28.12769526 4.86385328 8.63776666 Zr 40.98905890 38.36862041 43.40449275 1.70433644 7.38944972 8.78196170 Zr 34.88815069 39.79228350 40.12765571 -5.18750374 3.85839063 2.73595168 Zr 36.49443137 41.42229152 41.67268816 -2.26488783 -2.86213035 1.48610153 Zr 37.20318879 42.27158145 40.03624514 2.07346629 -10.71134885 -0.54138499 Zr 38.55195003 43.32771811 41.20119316 1.19526068 13.29195261 -1.06376197 Zr 37.32997753 39.41796281 42.22008207 0.35586348 -1.91607244 3.94372536 Zr 38.77031560 41.22340724 43.55576493 -3.70216211 -5.97244760 14.60270625 Zr 35.14128637 42.60208938 42.68962069 -11.33279921 -4.44848425 -5.59851811 Zr 36.07306257 43.55125396 43.72105242 8.40194715 7.68725071 8.27375331 Zr 40.14892157 40.02705464 39.53803348 2.92875725 7.45129778 10.58240733 Zr 41.40847021 41.53367211 41.46039361 -8.05002932 -2.89804355 15.54017445 Zr 42.00088437 41.99541590 40.18351465 9.10447387 6.71862377 -20.13982195 Zr 43.44248818 43.81537804 40.42369874 1.22521475 1.49980526 0.25648762 Zr 42.36467248 40.39216108 42.70918439 1.94310371 -4.74880928 4.13337122 Zr 43.87316713 41.47307255 43.72781929 1.08673148 2.58239335 0.27740638 Zr 39.29785938 41.99587712 42.16888713 6.63666236 1.14895428 -3.81512348 Zr 41.17819553 43.75407049 43.58737921 0.42880399 -1.78729455 -1.46757944