500 Lattice="10.761812182690083 0.0 0.0 0.0 10.761812182690083 0.0 0.0 0.0 10.761812182690083" Properties=species:S:1:pos:R:3:forces:R:3 energy=7035.674468682709 stress="-12.849574616120098 -0.008684177125819 0.021842826129190977 -0.008684177125819 -12.858396603726822 0.0053097876706072545 0.021842826129190977 0.0053097876706072545 -12.869194323288333" free_energy=7035.674468682709 pbc="F F F" Ne 0.01896706 0.04285720 0.01342919 -21.61555425 -19.39381349 -22.49763081 Ne 1.04227977 1.14378254 0.01209568 1.36993043 -6.11408404 -39.76726438 Ne 1.05669863 0.01635599 1.01870896 3.61304157 -39.86976260 1.05939797 Ne 0.00176777 1.06371637 1.10894319 -38.84441526 4.00225930 -1.45846807 Ne 2.21044612 0.04207138 0.03734849 -6.35992450 -32.13247514 -30.07688077 Ne 3.19963640 1.04696793 0.03246993 6.52721488 7.07832048 -34.55766413 Ne 3.25717911 0.02528232 1.12207285 -2.13787092 -36.76971748 -0.53336395 Ne 2.11333298 1.04894321 1.07161415 4.10978746 1.81216266 1.80912111 Ne 4.27124339 0.02184005 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