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=467.83267902572663 stress="-0.002339526090117719 -0.00028951362114119743 -8.805706911650809e-05 -0.00028951362114119743 -0.002791133368488145 0.00024903245331869296 -8.805706911650809e-05 0.00024903245331869296 -0.0022676626389129457" free_energy=467.83267902572663 pbc="F F F" Na 34.78367263 35.12346679 35.36550154 -12.07672070 -5.89084957 -2.41828827 Na 36.67932976 36.01204834 35.78822582 -16.98142502 -49.99652684 21.23381391 Na 37.18665662 37.17437515 35.34678391 21.34291561 54.09226401 -24.10688350 Na 38.65560671 39.05323622 35.84387111 10.44720076 -8.08592152 -6.54137560 Na 37.91290182 34.60603215 37.54563933 -0.47547481 -6.45320032 0.52268321 Na 38.45884333 35.98619158 39.63700292 19.15714564 -20.40393713 -4.20316823 Na 34.97824479 37.41169827 38.28893329 -9.56668259 -6.18113385 -5.23199314 Na 36.66957035 38.81506141 38.64409438 4.25263554 9.97902862 -1.90244313 Na 39.81008221 35.53474044 35.49958076 -3.49051101 -5.28321631 -7.84918226 Na 41.66528594 36.36075317 36.80206505 1.91029704 6.27489841 -7.65304002 Na 42.42331054 37.47498046 35.35389219 5.84099941 6.43585478 -17.16812732 Na 44.11471351 39.21756836 36.34485394 19.41789180 -3.45411726 -7.43267937 Na 42.16007624 35.02272029 37.76496886 8.02505115 -28.45431095 11.29519681 Na 43.72313878 36.34955648 39.06712592 23.80285833 -17.75840455 -20.99022325 Na 40.08103799 37.38375083 37.43312155 -15.74140704 7.85060959 8.47589541 Na 41.71972359 39.15166176 38.26421073 -27.87421125 -29.09855062 43.50877256 Na 35.11973053 40.19482626 35.33128904 -16.00413512 -8.78388641 -8.91771142 Na 36.62953658 41.23171497 36.16744202 -23.47089860 38.05596137 -13.06239737 Na 37.47399637 42.83361818 35.24832690 -6.42866906 7.71527503 -15.36788840 Na 39.11051586 43.60831304 36.13182036 9.74317449 11.84761589 -2.53122833 Na 37.33494566 40.17179134 36.80351591 18.37228139 -31.78688243 27.60253366 Na 38.71060246 41.18606801 38.59833120 -16.08923557 -27.03284255 15.18795013 Na 35.06704267 42.92621521 37.99183670 -13.43635921 -13.80598727 -13.50353327 Na 35.94358188 44.16761832 39.05059199 5.15719885 22.70204359 8.07196115 Na 40.40644881 40.31399864 34.82453777 1.36252155 1.54890927 -6.84095581 Na 41.71418350 41.23537839 37.00509449 -14.82447479 33.08249021 -2.98356890 Na 42.70198595 42.11909233 34.98857214 -4.02836593 -9.06059876 -13.85925905 Na 43.61104100 43.65200974 35.86886555 8.25211889 13.80271426 7.81394332 Na 42.44778999 39.79700244 37.25140829 32.02340029 0.07146061 -27.49694806 Na 44.05457320 41.35242008 39.15392755 3.51178083 -0.11659682 0.61163544 Na 39.63075120 42.35634152 37.96489350 9.15227743 9.92201787 -9.33400948 Na 40.79807299 43.85770961 38.33066397 11.92993486 17.26659976 4.48077715 Na 35.05010383 35.27245731 40.09011823 -11.86768095 -7.99194356 -9.12928888 Na 36.44878505 35.91570233 41.45472442 -16.81152332 7.98035185 -3.76537117 Na 37.44272699 37.27559515 39.79735554 -10.67474059 22.17138861 4.56552966 Na 39.15239224 38.96880363 41.54553523 -9.11224370 1.00946176 -1.20241565 Na 37.66472004 35.16088229 42.28296473 23.34413294 -19.31137839 18.68024143 Na 39.60006922 36.20856094 43.89546439 -5.21599918 -12.13588219 19.40594700 Na 35.47160297 37.75958667 42.26290339 -11.96000239 2.16382624 0.15392489 Na 36.67344002 38.93577315 44.13620823 -5.37595109 -9.36128722 32.33121065 Na 40.32877325 34.52610692 39.69632542 -1.35824494 -13.67943765 -2.48603537 Na 41.31471719 36.14938357 40.79047500 -8.32517721 2.58651555 -2.43487602 Na 42.95064459 37.30631702 40.15697201 -12.59580387 13.39186453 0.66401001 Na 43.47293636 38.33102682 41.54629606 16.19785962 -0.84789113 12.61373966 Na 42.24000984 35.05592856 42.45145512 0.25078951 -16.58792178 -0.29882369 Na 43.08158588 36.41408198 43.78498705 6.74964949 8.03987434 11.02695420 Na 40.10297349 37.34054003 42.50702170 7.12715303 7.70431053 -6.67164171 Na 41.45499411 39.54924760 44.22128440 -5.71436947 -4.11197967 7.49100745 Na 34.56015620 39.88157424 39.50473144 -6.23043074 3.16870605 1.90912192 Na 36.25729742 41.52306746 41.13765105 -10.78317119 -13.33157041 10.26404039 Na 37.19779318 42.53574658 39.98118615 12.62192830 4.07614286 -12.75183817 Na 38.07996286 44.17295379 41.33200728 1.52270732 11.30033825 1.40079248 Na 37.08924117 39.55638788 42.60028166 6.62989583 13.31597865 -22.88987808 Na 39.05247897 41.28185701 44.01551356 -3.06838217 -7.04711314 11.37041147 Na 35.00461953 42.23065031 43.11787227 -10.00901572 -4.29677621 1.24693163 Na 36.49943859 43.69165830 43.95892264 5.50110124 6.58129016 5.01599145 Na 40.49012500 39.99311052 40.28768354 -11.22226005 -11.81566384 -28.36057311 Na 41.27846939 40.83438035 41.47445368 -2.89904343 21.23969755 15.91900814 Na 41.98284304 42.87841305 40.70581183 -2.61719247 4.39281969 -0.37048810 Na 43.91324686 44.21270083 40.47289470 6.01244956 4.96613221 -0.22592370 Na 42.78608143 40.03329301 42.14938301 12.37099797 3.34769640 2.06636907 Na 43.64207612 40.80695119 43.97773881 9.22588100 7.23692679 9.85082580 Na 39.51866056 42.66023223 42.52623615 3.54767451 5.76781351 -5.96148874 Na 41.35119726 44.20935153 44.10182255 1.52589898 1.07692952 1.16232652