32 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=427603.2233668786 stress="-23.016137984329855 -1.7198953316969081 -6.7198099569950935 -1.7198953316969081 -22.403493557141303 -4.3791954067277015 -6.7198099569950935 -4.3791954067277015 -25.760218106702165" free_energy=427603.2233668786 pbc="F F F" Nb 21.04191848 21.03206539 21.01782358 -27610.83719450 -15145.73796923 -25482.65153510 Nb 22.38810738 22.50558467 21.23286350 -1146.98745508 163218.53070282 -131779.96896909 Nb 22.38646332 21.28510958 22.28328274 -9826.92122262 -169509.40490327 139450.29288866 Nb 20.80612644 22.24797748 22.72307973 -62710.16772148 108052.61840401 -90294.21657887 Nb 23.88691748 21.24635424 21.21868142 24876.71746134 -50176.31201666 -83340.74117355 Nb 25.33017992 22.59789772 20.99772303 71782.04584034 -74576.41453654 -46573.67244289 Nb 25.71156729 20.94144212 22.64469924 22755.89940013 -82269.41758716 -66557.91388571 Nb 24.00267376 22.01272107 22.77734944 -5180.82415469 87851.37423845 14286.05266086 Nb 20.98706741 24.09930535 21.16480380 -3854.11569072 -7306.10531352 -14549.28918431 Nb 22.70911346 25.53167445 21.18737067 -29136.02096057 5276.94711855 -40406.12739382 Nb 22.62088653 24.26823010 23.00187701 -31219.70451236 -173269.87998864 -77490.33296447 Nb 20.78322024 25.27316984 22.69874981 -15392.60715054 91086.31366056 -73779.25450574 Nb 24.25502593 23.80002744 21.52411753 -748424.58579569 -69345.35129232 -412868.43838511 Nb 25.55675804 25.71228578 21.00051040 1981.06850560 5287.79578593 -4491.20427890 Nb 25.45904659 24.03356483 22.28467018 694812.44949248 141202.32624900 447599.67145587 Nb 23.85109717 25.49375657 22.56916094 110631.07228583 34386.82997953 -27774.59665482 Nb 21.23514444 21.11699829 23.84703437 -22849.40298049 -169853.85238954 81153.56316810 Nb 22.23840781 22.45209969 24.24702485 120055.34047115 57674.55086896 -56319.43916310 Nb 22.31383014 20.81134390 25.75758311 6023.19759004 -8884.98023398 5799.71428704 Nb 21.03957263 22.38535903 25.44411827 -81319.18687428 2399.84126365 76842.49130337 Nb 24.10485493 20.74395733 23.98237634 -4915.68217876 -52697.19406960 47692.76679936 Nb 25.56531225 22.24035097 23.72585337 26041.36960389 82623.31766148 76808.68696541 Nb 25.61549339 21.18996837 25.62025027 4437.82821459 -4410.14701346 4593.09192317 Nb 24.06921192 22.68255131 25.76493707 27621.18967413 -36594.49897085 24757.47497354 Nb 20.87060385 24.12428226 23.91869914 -31032.46365692 -377054.77033446 -230269.78541510 Nb 22.66007387 25.69064531 23.80564303 -45838.95625598 153885.58715751 133340.87813328 Nb 22.61254695 23.76644267 25.63873507 -29946.28648962 35062.44571895 16688.26323863 Nb 20.94696467 25.16412915 25.01721908 17521.42295996 303062.23615391 322854.99061040 Nb 24.10611404 23.81741111 24.26268214 -4401.04573304 8296.25146144 -27127.74387738 Nb 25.49494588 25.51947060 23.99566758 2085.07361672 27297.21304585 -19049.07270377 Nb 25.72583418 24.14929790 25.21608937 24223.73073823 -18882.96895484 31619.58727013 Nb 23.94225669 25.66763061 25.64243215 -42.60982710 3312.85610345 4666.92343389