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=493.7540449327723 stress="-0.0017923445282220808 -8.597072275271619e-05 -9.402981770194213e-05 -8.597072275271619e-05 -0.0017053435094757097 -4.200323412723821e-05 -9.402981770194213e-05 -4.200323412723821e-05 -0.0017591044235487018" free_energy=493.7540449327723 pbc="F F F" Cs 34.75900849 35.18525799 35.18408192 -4.26879953 -2.79517332 -2.68884937 Cs 36.59933616 35.93572417 35.98055861 -1.40712938 -4.29778192 -2.93935760 Cs 36.94667287 37.68702173 35.23402360 -3.34579681 -0.20935696 -7.98434281 Cs 38.17806499 38.36819937 35.96390753 2.56063633 1.12726205 -5.14281841 Cs 37.29465675 34.93158033 37.83765651 -2.68919506 -7.45892278 -0.12470441 Cs 38.85840215 35.76443239 38.07792206 1.52175739 -4.44320349 -0.07746882 Cs 34.64671032 37.87128473 37.80973961 -7.10748303 -1.61229148 -1.91382428 Cs 36.55604684 39.07636534 38.99475015 -4.57814398 2.74723355 -2.46945003 Cs 40.44932342 35.29377055 34.75670798 -0.65914006 -4.20068194 -5.36707887 Cs 41.13034487 36.23678549 36.50500385 1.73981390 -3.28974336 -2.19447300 Cs 42.56413860 37.42957765 34.86420263 1.88209076 -1.65225233 -5.95802199 Cs 43.67982227 38.79069607 35.86736005 6.07326390 0.21810191 -2.77211109 Cs 42.81964364 35.29825864 37.98568119 1.09693179 -7.58379482 -2.61780317 Cs 43.94092265 36.30422636 38.60556583 8.90256025 -1.05285322 -1.20607971 Cs 39.85099073 37.67682157 37.44339995 1.38636250 -0.28382827 -1.77797776 Cs 40.92663375 38.81896876 39.27232088 3.32115367 -1.44318774 -0.26453300 Cs 34.75331176 40.26852244 35.10549878 -5.85660801 -0.51642102 -4.60935055 Cs 36.14575737 40.88078096 36.24085714 -2.35100993 1.34997773 -1.69558090 Cs 37.23544699 42.23567833 34.69446895 -0.68895462 2.55666740 -6.41283786 Cs 38.61643991 43.32327578 36.40123177 -3.49827739 7.60023990 -4.46595894 Cs 37.95366604 39.81403780 37.71888199 -1.31825495 0.82593942 -3.89173822 Cs 39.18297782 40.79320854 38.51387784 1.32604380 2.43052949 -1.48057352 Cs 35.30609528 42.83814538 37.63905551 -5.29620766 2.67547994 -3.13168718 Cs 35.90975672 43.66349090 39.11824152 -2.18789942 6.90600367 0.86883798 Cs 40.71935448 40.51919211 34.70305829 -1.10505136 -1.11275452 -7.53236813 Cs 41.60365422 41.12475624 36.46651109 1.22368267 1.33419577 -2.92668733 Cs 42.13700750 42.97130329 35.10350000 0.69218178 3.93214398 -5.34432393 Cs 43.97271432 43.46171569 36.15767148 4.68389529 3.11649559 -0.29575155 Cs 42.58087455 40.09122498 37.62135791 2.85220465 -1.62151769 -0.39952086 Cs 43.97769358 40.70074799 38.54532507 8.25449391 1.65553561 1.85859564 Cs 39.66448343 42.68403127 37.11226018 1.88875254 3.23926114 -1.51040828 Cs 40.78401742 43.31914392 38.89352680 0.78435841 7.76834336 -1.23431582 Cs 35.05615299 35.04331559 40.03496839 -6.13373296 -5.49592835 -1.24493253 Cs 36.18959060 36.09305905 40.84266193 -1.95510822 -1.99228088 1.75086327 Cs 36.97420272 37.99791377 39.62151619 -0.60828409 -5.97265773 1.49760200 Cs 38.31926423 38.51894432 41.34725891 -0.57211062 -2.68095912 2.82013677 Cs 37.07742728 34.96989052 42.36669775 -1.39358996 -5.60387638 3.93986603 Cs 39.08450338 35.75571598 43.58475277 -0.63775754 -4.44937614 6.41288658 Cs 34.99655912 37.96978731 42.51668654 -7.11037304 -2.28575456 2.36140176 Cs 36.22422232 38.91950201 43.54655608 -3.57016209 -1.02196183 8.08786294 Cs 39.81656662 35.00137669 40.36058702 -2.32364564 -7.70915013 -0.83875184 Cs 40.99204533 36.00831489 40.96331241 1.52998385 -1.13108560 1.12584989 Cs 42.84911873 37.01757136 39.91996436 2.86892724 -0.83099181 1.41455512 Cs 43.60556472 38.49425818 41.03735392 6.47473769 0.97558560 2.33049905 Cs 42.20384740 34.85081933 42.03810700 3.61892672 -6.08200448 3.20909645 Cs 43.64763455 36.27401265 44.00814638 2.62510554 -0.74350767 3.12100221 Cs 39.84711061 37.35418500 42.77385137 1.14686579 -0.85887566 4.00359642 Cs 40.94042883 39.08426327 43.80462855 2.02097829 -1.20828254 6.86290446 Cs 34.83286624 39.70558043 39.93496123 -8.90989061 1.04153946 0.92706890 Cs 35.88698845 41.61356488 40.86193449 -4.60106896 1.31382068 1.60337895 Cs 37.82350393 42.21827495 40.29659783 -2.78431647 2.40824023 -0.36872345 Cs 38.90018420 43.28337470 40.87827378 -0.31885374 9.55033410 2.15679860 Cs 37.36102597 39.94186987 42.87644269 -1.17715598 3.00509318 4.22956674 Cs 39.22390080 40.79357549 43.78505241 -0.73453865 2.06813655 7.73749677 Cs 34.62935593 42.80367007 42.32271401 -5.69450066 1.85041240 2.29452567 Cs 36.40435093 43.79540286 43.37563583 0.23064763 3.69714586 3.86127199 Cs 39.50493887 39.70919522 40.36805486 1.20351815 -0.14713941 1.80729414 Cs 40.89974943 41.63097218 41.12165250 4.89359758 -0.39819173 -1.77655536 Cs 42.34497277 42.80178516 39.71375535 6.45469864 3.89458499 0.21989474 Cs 43.96837464 43.91658749 41.72203415 3.32850709 2.83005107 0.86427859 Cs 42.51989586 40.11435160 42.44053329 4.46593315 -0.01804499 2.08389729 Cs 43.82327501 41.24617305 44.08965562 3.60234947 1.08751926 3.72213840 Cs 40.37368119 42.11536967 42.13716159 -0.33014050 4.91557193 7.80543593 Cs 40.97456904 44.06242240 43.78359587 0.55822055 4.08238806 3.68035732