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:Z:I:1:forces:R:3 energy=8502.809976796809 pbc="F F F" In 0.02387322 0.13604867 0.24341925 49 -986.03874785 -2265.22392375 -1774.97713631 In 1.54602377 1.23097341 0.07368086 49 669.50912039 298.33330036 -841.77661594 In 1.38852443 0.02192495 1.63976425 49 980.55778001 -1672.92799203 -876.69400403 In 0.15165236 1.45529247 1.31717489 49 -833.54632698 2380.74969640 1483.46375227 In 3.29366431 -0.02707814 -0.10919141 49 -1467.14946426 -1686.86209929 -704.75123349 In 4.39349913 1.30135236 0.07252260 49 3743.63633160 836.42526131 -3001.97182783 In 4.50542667 -0.12727685 1.38961996 49 433.34590825 -501.62597602 623.64936418 In 3.25850264 1.51398267 1.26151150 49 -2613.00366861 -1609.85811369 4149.03438469 In -0.14431869 3.38299975 -0.05818760 49 -528.37725417 -480.53800705 -74.54263152 In 1.26298574 4.62531703 -0.12417472 49 445.08667638 507.27018052 -151.36044052 In 1.52123813 3.15425188 1.55671322 49 -1498.87531186 -2463.54710914 -1470.78118205 In -0.20615271 4.71730234 1.66489292 49 -97.45178678 88.32143276 57.50991965 In 2.81770233 2.76861130 0.17359696 49 -472.90646330 1159.80530812 -2376.54162550 In 4.35953239 4.76063175 0.08258162 49 253.47515890 145.57835245 -234.34694396 In 4.50906357 2.83819200 1.18954294 49 1096.64097773 1112.64139705 466.14852980 In 2.86867015 4.25660222 1.27873636 49 1090.67444922 1603.36269729 357.22589626 In -0.06105343 0.07484420 2.87176451 49 -1188.60310348 -700.33043779 411.47140903 In 1.34199254 1.26249257 2.90066186 49 1017.18546234 1997.06159153 -283.79238452 In 1.59798015 0.26709439 4.32334346 49 -2114.55363632 -722.10597084 3176.82587334 In -0.06896240 1.74459391 4.59954099 49 -664.22048020 -3220.18908873 5551.44766753 In 2.87828759 -0.03867855 3.27058364 49 2187.41469111 -817.31755781 -1923.95930477 In 4.50419726 1.46707831 3.04445321 49 367.31146374 -1687.54446859 -1453.75737259 In 4.37290123 0.00745615 4.66757343 49 201.51634665 -112.87864236 206.92390392 In 2.96536960 1.66456822 4.51007763 49 -112.08225281 -5729.22180709 6748.54353015 In 0.04757151 2.52945143 3.22315418 49 -620.44617416 3362.38870717 -5717.05404180 In 1.56985380 4.20361479 2.89047113 49 -412.18325428 2165.98063848 619.41182882 In 1.29451390 3.27273937 4.43442338 49 3067.41881499 -3163.81571143 1509.33551874 In -0.02348313 4.23608891 4.39785023 49 -3613.30579767 2748.86043228 51.50854385 In 2.95083797 2.70992259 3.36562798 49 -1366.88853274 5464.89103638 -7412.58994572 In 4.64302057 4.72009365 3.12644244 49 53.56734469 70.33371660 -58.29943182 In 4.51344123 2.77347111 4.16997692 49 1842.82425799 1863.51490116 2094.09877121 In 2.75298470 4.39260881 4.29045324 49 1139.46747146 1028.46825571 850.59722891