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=24.521604170183267 stress="6.527821193968392e-05 0.00017449344316618242 0.00012029463962993864 0.00017449344316618242 0.00020943871421724873 1.9961452191739274e-05 0.00012029463962993864 1.9961452191739274e-05 0.0002810008305265165" free_energy=24.521604170183267 pbc="F F F" N 21.18881973 20.90295338 21.10338854 0.35057104 -1.21838978 2.85225009 N 22.74759167 22.61018303 20.92518197 8.23126715 6.91762886 2.08483254 N 22.24663523 21.13796413 22.44857885 -5.01956975 0.35100517 0.45157344 N 21.33647011 22.67061300 22.79169807 10.03455995 -0.86043102 9.97127689 N 23.96863002 20.94630638 21.03851086 2.36453985 -1.52171034 -2.79223058 N 25.64982991 22.24795387 20.97456391 1.38460650 -2.54083291 0.70900226 N 25.28747849 20.89476746 22.37993804 -2.96345853 2.31170757 -3.43718514 N 24.28095696 22.32464588 22.76008946 -7.72572156 -5.01553483 10.65826600 N 20.87675974 23.82230465 21.32266752 -5.12803541 1.71514640 -1.00725947 N 22.33144265 25.53371963 20.95633809 0.76004657 1.40493103 -0.90744542 N 22.24014891 23.99156693 22.32743118 4.56042782 -0.74121040 7.73800442 N 20.79546282 25.37133228 22.61893942 -2.29813215 0.35772816 -4.19740440 N 23.72956938 23.83885520 21.03926819 -6.14919222 -4.22572529 -1.80124091 N 25.73010044 25.59075923 21.12528982 2.29768015 1.12914620 -1.89812320 N 25.65132506 24.17828948 22.90228691 -1.27992210 2.87753726 0.44928330 N 23.79301824 25.23241985 22.57255377 -4.71025925 -1.20961702 -0.60008280 N 21.01129231 21.01258782 24.16911338 1.53403993 -1.27850690 2.42766800 N 22.30454100 22.62365747 23.95588739 1.27566319 4.02061100 -17.40304044 N 22.45297513 20.91848591 25.29482861 -0.98174895 -1.49479595 0.10975029 N 21.04737131 22.53238783 25.45628233 -2.44001667 3.11265421 -0.67131068 N 23.86810690 21.12937675 23.75818085 2.21015491 7.62200766 -5.66739724 N 25.76499283 22.29640878 24.21456242 3.30044468 0.36519130 4.96730181 N 25.77913633 20.88584624 25.62549746 2.13206880 0.00542363 -0.84731197 N 23.83178173 22.38323780 25.26192411 -3.09630924 1.94566806 -2.55657796 N 20.96490969 23.76260376 24.12263099 1.35618016 -2.41912041 3.56074339 N 22.54530481 25.65246672 24.18240100 4.31129387 -0.08416627 3.14116306 N 22.34000708 23.89901191 25.41812645 -1.87599588 -4.02339811 -1.56152843 N 20.70122014 25.73212867 25.25294705 -0.68420358 2.30441155 0.62170201 N 23.76067717 24.17871475 24.19104769 -1.29900427 -9.24174080 -7.71219639 N 25.50353117 25.45283623 23.95333963 0.04203348 -3.19861008 1.65010583 N 25.20072959 23.97657005 25.34628414 1.62361651 -0.13113304 3.57143668 N 23.79061752 25.74339277 25.23340623 -2.11762502 2.76412507 -1.90402497