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=219.35668897859767 stress="-0.0007502838238546465 -3.317802001950652e-05 -3.034164885205992e-05 -3.317802001950652e-05 -0.0007639219565035862 -3.37381175299456e-05 -3.034164885205992e-05 -3.37381175299456e-05 -0.0007535930755829467" free_energy=219.35668897859767 pbc="F F F" Si 35.42032358 35.20618254 35.13208278 -2.41600135 -2.80946026 -3.39484371 Si 36.13471127 36.09783946 36.17857288 0.08359753 0.55648554 0.34472521 Si 37.60476533 37.67273701 34.82845499 -1.79316693 -0.58800479 -4.66085819 Si 38.59584893 38.04632716 35.89796191 1.38157831 0.54150068 0.52983662 Si 37.15994348 34.66934135 37.46356608 0.45678164 -3.15526861 0.12057009 Si 38.30670149 36.70683445 38.68224913 -1.21182759 -1.27593697 -1.78829213 Si 34.62318784 37.41025204 37.20835245 -3.00001945 0.04310915 0.36271993 Si 35.90417992 39.19980146 38.85163006 -1.36577734 -1.08654344 0.14909797 Si 39.89810616 34.89377634 35.41177341 -1.57613762 -3.15244850 -2.25298204 Si 41.15019835 35.83038615 35.99235299 1.61059091 -0.69361174 -1.11781003 Si 42.16847990 37.95675865 35.25108204 -0.98053080 -1.48076060 -3.69173854 Si 43.29922158 38.71135882 35.85296040 4.60671425 1.06056090 -0.95562571 Si 42.85239068 35.01240128 37.45234021 0.43599546 -4.48664463 -1.61712267 Si 43.39294486 36.10695805 38.24458733 3.24620538 1.21265449 1.54332707 Si 39.92014986 37.02688392 37.97212270 0.86184680 -1.58217472 -0.58917662 Si 40.79471943 38.52293335 38.18263171 0.83066000 1.41971993 0.36199788 Si 35.27479808 39.69067933 35.40822129 -2.53407924 -0.84007225 -2.63298798 Si 36.15028003 41.36586036 36.18980610 -1.90249454 2.36570997 -2.75770593 Si 37.20603072 42.75406269 34.89327316 -0.52353458 1.47968230 -3.16223601 Si 38.64076477 43.47175198 36.41230082 -1.36955708 3.18477485 -1.14093367 Si 36.73863157 40.37912391 37.22493344 0.94619820 -1.44444410 0.65258857 Si 38.26046958 40.57238046 38.91598382 0.01825461 0.17607844 -0.85287954 Si 35.18520417 42.39311133 38.01804135 -2.99553464 1.18350574 0.07069100 Si 36.25453629 44.11552680 38.89295944 -1.01799639 3.26611793 -0.01918005 Si 39.81538569 39.79086484 35.12882103 0.01547768 0.52455790 -2.78810414 Si 40.80243067 41.43362007 36.43948077 0.92212651 -1.44738358 -1.25689799 Si 42.04037017 42.71092282 34.98918040 0.13629281 0.06647994 -2.52912767 Si 43.42717606 43.97355317 35.31540788 2.08157794 1.94359340 -0.17536730 Si 42.70181805 39.85197424 37.48719774 1.03184697 -0.17686646 -0.07736669 Si 43.73023129 41.16452591 38.29167641 3.54614561 1.63791104 0.31806373 Si 40.08432599 42.80170100 37.02682987 0.48355346 2.32951379 0.42468441 Si 40.89846397 43.40520039 39.07416640 0.59152969 3.77023103 -0.85952495 Si 35.47300258 34.67760347 39.48987544 -1.74880660 -2.15503453 0.13339563 Si 35.91888433 36.40949156 40.94409626 -2.20810008 -0.58368385 0.38419209 Si 37.99334471 37.00194958 40.21715574 -0.58090633 -1.17099987 1.86660449 Si 38.23997624 38.90049419 40.81459044 -0.42833050 -0.14700465 -1.43163626 Si 37.26166017 34.88768723 42.69722767 -0.18566883 -2.59207526 1.01895472 Si 38.30668131 36.66473439 43.98202144 0.16454754 -1.09766315 2.98554025 Si 34.88183094 37.20538658 42.99903148 -2.27653943 -0.50118169 1.39820284 Si 36.20091276 39.44648717 43.57843220 -2.52731964 -0.29167798 2.79182120 Si 39.83171727 35.10022228 40.06659996 0.57193968 -3.09168653 0.62857455 Si 41.85574659 36.58920072 41.32942884 -0.87249846 -1.30743763 1.13893742 Si 42.93778783 37.70228217 40.29174816 1.21616648 -0.62702506 -1.81099994 Si 43.94768116 38.75384684 41.17966492 4.16837065 0.87174733 0.74716942 Si 42.79233224 34.89959451 41.93667382 0.77377613 -2.87862476 0.59854836 Si 44.02808356 35.85107016 44.02148302 0.92978211 -0.24118368 1.44591141 Si 39.50649783 37.76424761 42.45743679 1.21584985 -1.55904120 1.53546165 Si 41.46307134 39.05605714 43.43537890 -0.11037033 -1.62735420 4.65510459 Si 34.52035043 39.93934544 40.20509611 -3.26900802 -0.00918590 0.79677962 Si 36.31009551 41.35562370 41.66140345 -1.42728582 0.89387184 0.26313617 Si 37.70526147 42.89810745 39.94354610 -0.77499162 1.63563596 0.11341112 Si 39.46409358 43.37776143 41.08010818 -1.09311056 4.32372559 0.35642372 Si 37.98347639 39.61182000 42.39973678 -0.52079301 -0.58873667 1.15634269 Si 38.24965062 40.78554092 43.57825187 0.62870741 2.05639715 4.38982582 Si 34.52831572 42.84543225 42.07558670 -2.17412331 1.29130337 0.51277516 Si 36.70644570 43.33490468 44.01498291 -0.27842913 1.50619504 1.56081536 Si 40.05734985 40.49196614 40.24631588 -0.66630389 -1.42033318 -1.78371679 Si 41.23598089 41.32163680 41.32532020 2.51694130 -0.13300933 0.65497021 Si 42.00070564 42.02591244 39.93418188 3.55676367 1.46042025 -1.57580014 Si 43.86856859 43.80302833 41.96859840 1.47667601 1.36783684 0.13906565 Si 42.07945678 39.90649301 42.16759987 2.29606471 -0.31985209 0.54278771 Si 44.14549445 40.83223766 43.45938940 2.03415980 0.46917053 1.64324201 Si 40.26201539 42.11862041 42.15449275 -1.48700030 1.98363160 4.07683032 Si 41.13815069 43.54228350 43.74594210 0.47952427 1.94028936 2.50978806