Run iter. h2(A) Dh(A) DD(A) E(strain)(HA) Force_Dh(N) Force_DD(N) Eg(eV) 2s_10-20-20 it=1.5 17.9857 0.6825 0.8651 -24344.747259 2.1400e-09 2.1400e-09 0.0 2s_10-20-20 it=2.7 18.5017 0.6101 0.8651 -24344.679977 4.8077e-09 3.3906e-09 0.0 2s_10-20-20 it=3.7 19.1315 0.6298 0.8651 -24344.623819 3.8874e-09 2.8300e-09 0.0 2s_10-20-20 it=4.7 19.7791 0.6476 0.8651 -24344.607168 1.1210e-09 8.3911e-10 0.0 2s_10-20-20 it=5.7 20.4428 0.6637 0.8651 -24344.568653 2.5300e-09 1.9409e-09 0.0 2s_10-20-20 it=6.7 21.1211 0.6783 0.8651 -24344.509198 3.8215e-09 2.9962e-09 0.0 2s_10-20-20 it=7.7 21.8127 0.6915 0.8651 -24344.447265 3.9046e-09 3.1210e-09 0.0 2s_10-20-20 it=8.7 22.5162 0.7035 0.8651 -24344.398143 3.0441e-09 2.4754e-09 0.0 2s_10-20-20 it=9.7 23.2306 0.7144 0.8651 -24344.352276 2.7990e-09 2.3114e-09 0.0 2s_10-20-20 it=10.7 23.9550 0.7244 0.8651 -24344.332427 1.1946e-09 1.0003e-09 0.0 2s_10-20-20 it=11.7 24.6884 0.7334 0.8651 -24344.338850 -3.8180e-10 -3.2368e-10 0.0 2s_10-20-20 it=12.14 25.4302 0.7417 0.8651 -24344.340530 -9.8748e-11 -8.4661e-11 0.0 2s_10-20-20 it=13.19 26.1795 0.7493 0.8651 -24344.331407 5.3082e-10 4.5974e-10 0.0 2s_10-20-20 it=14.19 26.9357 0.7562 0.8651 -24344.317400 8.0750e-10 7.0587e-10 0.015 2s_10-20-20 it=15.30 27.6983 0.7626 0.8651 -24344.311391 3.4352e-10 3.0282e-10 0.0 2s_10-20-20 it=16.16 28.4668 0.7685 0.8651 -24344.288493 1.2991e-09 1.1539e-09 0.0 2s_10-20-20 it=17.19 29.2407 0.7739 0.8651 -24344.269279 1.0824e-09 9.6827e-10 0.0 2s_10-20-20 it=18.19 30.0196 0.7789 0.8651 -24344.265733 1.9849e-10 1.7870e-10 0.0 2s_10-20-20 it=19.19 30.8030 0.7835 0.8651 -24344.245885 1.1045e-09 1.0002e-09 0.0 2s_10-20-20 it=20.19 31.5908 0.7877 0.8651 -24344.211240 1.9174e-09 1.7459e-09 0.0 2s_10-20-20 it=21.19 32.3824 0.7917 0.8651 -24344.183363 1.5352e-09 1.4048e-09 0.0 2s_10-20-20 it=22.19 33.1778 0.7954 0.8651 -24344.170570 7.0125e-10 6.4469e-10 0.0??? 2s_10-20-20 it=23.19 33.9765 0.7988 0.8651 -24344.166264 2.3503e-10 2.1700e-10 0.002 2s_10-20-20 it=24.19 34.7785 0.8019 0.8651 -24344.148134 9.8564e-10 9.1364e-10 0.0 2s_10-20-20 it=25.25 35.5834 0.8049 0.8651 -24344.129408 1.0143e-09 9.4367e-10 0.035 2s_10-20-20 it=26.25 36.3910 0.8077 0.8651 -24344.124449 2.6769e-10 2.4990e-10 0.035 2s_10-20-20 it=27.25 37.2013 0.8102 0.8651 -24344.117847 3.5524e-10 3.3270e-10 0.0 2s_10-20-20 it=28.13 38.0140 0.8127 0.8651 -24344.093393 1.3119e-09 1.2323e-09 0.0 2s_10-20-20 it=29.20 38.8289 0.8149 0.8651 -24344.082635 5.7553e-10 5.4214e-10 0.040 2s_10-20-20 it=30.20 39.6460 0.8171 0.8651 -24344.074928 4.1124e-10 3.8838e-10 0.030 2s_10-20-20 it=31.18 40.4650 0.8191 0.8651 -24344.050443 1.3033e-09 1.2339e-09 0.030 2s_10-20-20 it=32.15 41.2860 0.8209 0.8651 -24344.019265 1.6558e-09 1.5712e-09 0.035