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=5567.666792133857 stress="-0.36135455692842344 -0.014242176396726198 -0.06854906810355127 -0.014242176396726198 -0.34983425228167875 0.12010486746914928 -0.06854906810355127 0.12010486746914928 -0.26259552976227785" free_energy=5567.666792133857 pbc="F F F" Nh 21.11807066 21.00913282 21.02482623 -2277.58099973 -2271.07766169 44.06527425 Nh 22.25374550 22.07063803 20.92894801 2515.48224428 2059.99720146 -683.13943630 Nh 22.74919593 21.28729118 22.74806489 -1553.99124025 -345.41437826 -1301.03963648 Nh 21.19490559 22.40007281 22.32133599 -414.86998825 473.09636609 291.08648559 Nh 24.16789034 21.10496919 21.00979845 -1232.63968144 150.52591168 -1237.63474281 Nh 25.37740471 22.58879460 21.10129983 486.49313100 -236.73904074 -122.52230712 Nh 25.28194012 20.78002650 22.15434654 1192.73753511 -389.87609309 1185.72854130 Nh 23.79783350 22.63969094 22.48783331 1494.28711930 -901.48856184 -207.75959490 Nh 21.04935781 24.19945396 21.19834415 -1913.65138906 -2006.71790736 38.63934709 Nh 22.12909557 25.33808502 21.12132939 1889.70378394 2023.16168813 -182.78007657 Nh 22.72749361 23.85503501 22.62850881 -1078.49775691 1231.04372458 93.84374111 Nh 20.79989147 25.32688646 22.88930579 -4934.22437030 7764.97351707 -8466.86493480 Nh 24.26917606 23.96849962 21.27622569 -415.18987446 96.39952943 -475.88288962 Nh 25.65244678 25.24701171 21.05750561 268.24200924 192.55963491 -187.18761539 Nh 25.61965389 24.08820317 22.68333431 253.37468320 504.98547043 -630.80625406 Nh 24.06261882 25.51616684 22.18563160 -132.42585764 428.15169718 276.99274981 Nh 21.05070894 21.22003011 23.73090453 -169.55000771 -218.49138100 293.04277674 Nh 23.00471883 22.24703075 24.26452292 -597.55521522 529.54344538 -179.14817248 Nh 22.64215609 20.76832034 25.23231979 -184.44271978 -364.90732222 373.86013487 Nh 21.12746505 23.04258458 25.26208876 -5171.31991451 -2959.47308520 95.38425670 Nh 23.90516556 20.77340553 23.76549482 1583.31386945 -958.22795041 911.91951509 Nh 25.47162183 22.76979451 23.75927972 1762.35501853 -2104.36162102 -105.08213400 Nh 25.65601939 21.01048719 25.78221833 33.79700290 -37.15977764 7.24109296 Nh 24.25689224 22.54185015 25.46023062 243.23488488 -560.75705970 1019.67172006 Nh 21.34800376 24.46144289 23.84518101 4154.20061435 -8091.32484830 8182.63501731 Nh 22.72437246 25.50700366 24.04174711 545.18956312 488.84502202 39.32966269 Nh 22.41943243 23.77132265 25.25690254 5150.19599970 2962.02199485 279.15556808 Nh 20.89025751 25.67983266 25.23742097 -73.28834986 138.05159162 171.60952877 Nh 24.26398305 23.71346918 24.18782959 -1907.02242705 1888.81199774 -76.60908856 Nh 25.63010908 25.15618126 24.21147892 376.14207037 487.60208094 -331.40513120 Nh 25.52924455 23.93488228 25.53375130 414.48551432 -171.88377275 583.85533925 Nh 24.27519397 25.44062880 25.40420008 -306.98525152 198.12958772 299.80126263