32 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=5567.666792133854 stress="-26772.036413712896 -1055.174364880435 -5078.6633576560125 -1055.174364880435 -25918.520083045074 8898.329421054485 -5078.6633576560125 8898.329421054485 -19455.177609027836" pbc="F F F" Nh 0.11807066 0.00913282 0.02482623 -2277.58099973 -2271.07766169 44.06527425 Nh 1.25374550 1.07063803 -0.07105199 2515.48224428 2059.99720146 -683.13943630 Nh 1.74919593 0.28729118 1.74806489 -1553.99124025 -345.41437826 -1301.03963648 Nh 0.19490559 1.40007281 1.32133599 -414.86998825 473.09636609 291.08648559 Nh 3.16789034 0.10496919 0.00979845 -1232.63968144 150.52591168 -1237.63474281 Nh 4.37740471 1.58879460 0.10129983 486.49313100 -236.73904074 -122.52230712 Nh 4.28194012 -0.21997350 1.15434654 1192.73753511 -389.87609309 1185.72854130 Nh 2.79783350 1.63969094 1.48783331 1494.28711930 -901.48856184 -207.75959490 Nh 0.04935781 3.19945396 0.19834415 -1913.65138906 -2006.71790736 38.63934709 Nh 1.12909557 4.33808502 0.12132939 1889.70378394 2023.16168813 -182.78007657 Nh 1.72749361 2.85503501 1.62850881 -1078.49775691 1231.04372458 93.84374111 Nh -0.20010853 4.32688646 1.88930579 -4934.22437030 7764.97351707 -8466.86493480 Nh 3.26917606 2.96849962 0.27622569 -415.18987446 96.39952943 -475.88288962 Nh 4.65244678 4.24701171 0.05750561 268.24200924 192.55963491 -187.18761539 Nh 4.61965389 3.08820317 1.68333431 253.37468320 504.98547043 -630.80625406 Nh 3.06261882 4.51616684 1.18563160 -132.42585764 428.15169718 276.99274981 Nh 0.05070894 0.22003011 2.73090453 -169.55000771 -218.49138100 293.04277674 Nh 2.00471883 1.24703075 3.26452292 -597.55521522 529.54344538 -179.14817248 Nh 1.64215609 -0.23167966 4.23231979 -184.44271978 -364.90732222 373.86013487 Nh 0.12746505 2.04258458 4.26208876 -5171.31991451 -2959.47308520 95.38425670 Nh 2.90516556 -0.22659447 2.76549482 1583.31386945 -958.22795041 911.91951509 Nh 4.47162183 1.76979451 2.75927972 1762.35501853 -2104.36162102 -105.08213400 Nh 4.65601939 0.01048719 4.78221833 33.79700290 -37.15977764 7.24109296 Nh 3.25689224 1.54185015 4.46023062 243.23488488 -560.75705970 1019.67172006 Nh 0.34800376 3.46144289 2.84518101 4154.20061435 -8091.32484830 8182.63501731 Nh 1.72437246 4.50700366 3.04174711 545.18956312 488.84502202 39.32966269 Nh 1.41943243 2.77132265 4.25690254 5150.19599970 2962.02199485 279.15556808 Nh -0.10974249 4.67983266 4.23742097 -73.28834986 138.05159162 171.60952877 Nh 3.26398305 2.71346918 3.18782959 -1907.02242705 1888.81199774 -76.60908856 Nh 4.63010908 4.15618126 3.21147892 376.14207037 487.60208094 -331.40513120 Nh 4.52924455 2.93488228 4.53375130 414.48551432 -171.88377275 583.85533925 Nh 3.27519397 4.44062880 4.40420008 -306.98525152 198.12958772 299.80126263