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=593.6040446170774 stress="-0.0035010565026091143 -0.0004383941317463758 -0.0016218374439926273 -0.0004383941317463758 -0.004279189193693907 -0.00031704398722656404 -0.0016218374439926273 -0.00031704398722656404 -0.0035874006249506448" free_energy=593.6040446170774 pbc="F F F" Sn 35.22086729 34.98310996 34.77096654 -8.32815552 -8.13936972 -4.27829240 Sn 36.59933616 35.93572417 35.98055861 -30.16906660 -69.96083662 38.51740518 Sn 37.14715992 37.22516294 35.23402360 3.70608001 30.42897788 -71.55863578 Sn 37.93229823 38.31172061 36.19084223 26.72594004 54.13557928 31.90896900 Sn 37.29465675 35.14771729 37.83765651 -25.93481639 -10.76808102 -18.18283082 Sn 38.85840215 35.76443239 38.89217898 22.67895113 11.20219087 13.00316364 Sn 35.14633790 38.18034815 37.73408865 -11.50941500 -9.72335162 -17.64720502 Sn 36.55604684 39.07636534 38.99475015 -58.68994013 152.38186537 -98.91812896 Sn 40.57145570 35.62693260 34.97272797 -44.01784003 -49.35539755 -54.71575222 Sn 41.39037000 36.49879227 36.11441795 22.68181315 29.84274715 64.88374823 Sn 42.56413860 37.42957765 34.86420263 -5.88011660 -11.28256852 -30.71583143 Sn 43.67982227 38.56376137 35.86736005 27.13250405 27.77533239 23.96388646 Sn 42.81964364 35.29825864 37.98568119 -11.51107941 -19.26558101 -26.10531906 Sn 43.94092265 36.11268637 39.49455239 74.23770840 -63.88106042 -3.42624044 Sn 39.60608194 37.67682157 37.21116107 14.30488082 -12.64580391 3.39303750 Sn 40.92663375 38.73745349 38.77269330 14.67216829 -4.36360122 0.31544724 Sn 34.75331176 39.90964442 34.86452263 -3.73902265 -3.60290099 -2.84576560 Sn 35.97770984 41.31803661 36.24085714 -9.39428635 -19.22311447 15.16616071 Sn 36.98274860 42.58576757 35.04799780 10.80435003 15.78695161 -22.31066335 Sn 38.61643991 43.32327578 36.40123177 -109.93590503 74.73836432 -78.96741906 Sn 37.95366604 39.88968876 37.71888199 -66.24268954 -39.41236386 -34.32537412 Sn 39.18297782 40.79320854 38.39174556 49.87388407 50.19637287 22.72117341 Sn 35.30609528 42.83814538 37.63905551 -21.20850233 -25.43954207 -45.63366038 Sn 35.82590155 43.66349090 39.11824152 15.54110341 30.49884101 48.29390364 Sn 40.87943697 40.56501311 35.10510663 -51.72154377 -45.11346361 -61.85733709 Sn 41.60365422 41.12475624 36.46651109 -12.08052105 48.87384536 22.47506672 Sn 42.17369572 42.66520909 34.97907069 8.80335558 23.54324994 -5.72011380 Sn 43.94881891 43.15243413 36.44017667 10.58117306 5.88860695 4.16278240 Sn 42.58087455 40.09122498 37.35935114 10.69077703 -57.22492250 12.98599263 Sn 43.51188573 41.41256706 38.22404061 27.06045480 27.59508168 28.93184081 Sn 39.66448343 42.68403127 37.11226018 122.93670993 -74.20559593 90.00077175 Sn 40.97555741 43.31914392 38.89352680 -71.91406632 26.88631852 -47.39763040 Sn 34.65903078 35.13218566 39.34610205 0.88251577 0.49494137 0.39898262 Sn 36.57476874 36.09305905 40.83959562 -38.38642703 64.82684550 -91.66500555 Sn 37.00297454 37.99791377 39.62151619 75.04642249 -170.49599575 110.84294449 Sn 38.55150311 38.51894432 41.34725891 -23.61528143 -30.80807485 17.30077440 Sn 37.09881521 35.30441286 42.08099836 34.70437192 -59.71290090 85.95670278 Sn 39.08450338 35.75571598 43.58475277 -27.11505461 -32.30581560 29.48215337 Sn 34.99655912 37.96978731 42.76203333 -39.86754695 -29.34923173 -18.59835235 Sn 36.22422232 38.91950201 43.54655608 -15.37281901 -14.79909765 46.88612412 Sn 39.68077883 34.92981710 40.86973464 -5.31225718 -7.88695182 -12.88373055 Sn 41.48837336 36.00831489 41.43404765 -60.06724668 103.10514763 -52.25143913 Sn 42.84911873 37.25854751 39.61004044 -74.48128715 72.30620745 13.35989841 Sn 43.60556472 38.49425818 41.03735392 6.01182218 13.65389176 11.32792426 Sn 42.20384740 34.85081933 42.03810700 64.18846372 -106.70482454 50.61595840 Sn 43.29104752 36.17649253 43.66189009 7.29654900 4.16661779 9.45606038 Sn 40.09980901 37.00409575 42.77385137 22.65630596 20.56028940 -29.38941061 Sn 40.49401156 38.73141817 43.56203895 15.17248313 11.40455949 12.13642008 Sn 34.81934759 39.89748054 39.67862890 -21.76599973 -3.49883391 -7.06206707 Sn 35.91734483 41.12315529 40.81132154 16.60844673 19.55941565 21.35823983 Sn 37.82350393 42.21827495 39.80335328 -35.22248954 -45.34719641 -42.76351882 Sn 38.63834321 43.28337470 40.87827378 37.38015162 46.80685609 47.02694211 Sn 37.36102597 39.94186987 42.87644269 50.86935299 43.89827452 -26.55827535 Sn 39.49962345 40.63350127 43.50549574 -10.77014528 10.91327534 8.62591499 Sn 34.82995643 42.73085754 42.73677932 -6.89101107 -2.63450956 -3.85341484 Sn 36.88344197 43.39579439 43.78979821 7.11073393 2.27098064 3.98863981 Sn 39.50493887 39.74812168 40.36805486 30.42212692 29.57663101 -21.87584106 Sn 40.89974943 41.22892384 41.12165250 59.53814796 -97.82606225 -109.88120085 Sn 42.34497277 42.80178516 39.71375535 68.71801911 -30.11462281 41.73542303 Sn 43.72557247 43.55011602 41.91154804 -0.02006114 0.53988904 -3.14317434 Sn 42.61642137 39.97690407 42.58223207 -4.02629170 -3.22937708 -2.42730844 Sn 43.93333148 41.38215830 43.97076095 3.92315379 2.31541592 4.15654384 Sn 40.39757659 42.11536967 42.13716159 -55.77149562 102.69707213 112.19955197 Sn 41.59856987 44.06168698 43.85549530 -1.99854015 -0.54958604 -0.61960933