total stress (Ry/bohr**3) (kbar) P= -16.00 total stress (Ry/bohr**3) (kbar) P= -15.71 total stress (Ry/bohr**3) (kbar) P= -15.04 total stress (Ry/bohr**3) (kbar) P= -14.16 total stress (Ry/bohr**3) (kbar) P= -13.04 total stress (Ry/bohr**3) (kbar) P= -11.56 total stress (Ry/bohr**3) (kbar) P= -9.70 total stress (Ry/bohr**3) (kbar) P= -7.67 total stress (Ry/bohr**3) (kbar) P= -5.56 total stress (Ry/bohr**3) (kbar) P= -3.25 total stress (Ry/bohr**3) (kbar) P= -0.59 total stress (Ry/bohr**3) (kbar) P= -0.29 total stress (Ry/bohr**3) (kbar) P= -1.34 total stress (Ry/bohr**3) (kbar) P= -3.65 total stress (Ry/bohr**3) (kbar) P= -1.41 total stress (Ry/bohr**3) (kbar) P= -3.05 total stress (Ry/bohr**3) (kbar) P= -1.26 total stress (Ry/bohr**3) (kbar) P= -3.29 total stress (Ry/bohr**3) (kbar) P= -0.47 total stress (Ry/bohr**3) (kbar) P= -2.76 total stress (Ry/bohr**3) (kbar) P= -1.28 total stress (Ry/bohr**3) (kbar) P= -3.08 total stress (Ry/bohr**3) (kbar) P= -2.67 total stress (Ry/bohr**3) (kbar) P= -4.66 total stress (Ry/bohr**3) (kbar) P= -2.89 total stress (Ry/bohr**3) (kbar) P= -5.15 total stress (Ry/bohr**3) (kbar) P= -2.42 total stress (Ry/bohr**3) (kbar) P= -2.65 total stress (Ry/bohr**3) (kbar) P= 1.30 total stress (Ry/bohr**3) (kbar) P= 2.97 total stress (Ry/bohr**3) (kbar) P= -2.02 total stress (Ry/bohr**3) (kbar) P= 6.01 total stress (Ry/bohr**3) (kbar) P= 8.63 total stress (Ry/bohr**3) (kbar) P= 8.05 total stress (Ry/bohr**3) (kbar) P= 2.94 total stress (Ry/bohr**3) (kbar) P= 8.32 total stress (Ry/bohr**3) (kbar) P= 0.64 total stress (Ry/bohr**3) (kbar) P= -2.57 total stress (Ry/bohr**3) (kbar) P= 11.03 total stress (Ry/bohr**3) (kbar) P= -8.07 total stress (Ry/bohr**3) (kbar) P= -6.08 total stress (Ry/bohr**3) (kbar) P= -5.65 total stress (Ry/bohr**3) (kbar) P= -9.87 total stress (Ry/bohr**3) (kbar) P= -9.47 total stress (Ry/bohr**3) (kbar) P= -6.24 total stress (Ry/bohr**3) (kbar) P= -7.29 total stress (Ry/bohr**3) (kbar) P= -9.70 total stress (Ry/bohr**3) (kbar) P= 4.75 total stress (Ry/bohr**3) (kbar) P= 6.24 total stress (Ry/bohr**3) (kbar) P= 1.29 total stress (Ry/bohr**3) (kbar) P= 3.50 total stress (Ry/bohr**3) (kbar) P= -6.94 total stress (Ry/bohr**3) (kbar) P= -4.69 total stress (Ry/bohr**3) (kbar) P= -7.13 total stress (Ry/bohr**3) (kbar) P= 1.40 total stress (Ry/bohr**3) (kbar) P= 8.81 total stress (Ry/bohr**3) (kbar) P= 15.17 total stress (Ry/bohr**3) (kbar) P= 4.24 total stress (Ry/bohr**3) (kbar) P= -8.62 total stress (Ry/bohr**3) (kbar) P= 4.19 total stress (Ry/bohr**3) (kbar) P= 15.41 total stress (Ry/bohr**3) (kbar) P= 2.66 total stress (Ry/bohr**3) (kbar) P= 1.38 total stress (Ry/bohr**3) (kbar) P= 0.99 total stress (Ry/bohr**3) (kbar) P= -1.89 total stress (Ry/bohr**3) (kbar) P= 7.40 total stress (Ry/bohr**3) (kbar) P= 6.70 total stress (Ry/bohr**3) (kbar) P= -3.72 total stress (Ry/bohr**3) (kbar) P= -4.15 total stress (Ry/bohr**3) (kbar) P= 0.81 total stress (Ry/bohr**3) (kbar) P= -7.34 total stress (Ry/bohr**3) (kbar) P= 0.05 total stress (Ry/bohr**3) (kbar) P= 10.18 total stress (Ry/bohr**3) (kbar) P= 26.16 total stress (Ry/bohr**3) (kbar) P= -4.34 total stress (Ry/bohr**3) (kbar) P= 11.15 total stress (Ry/bohr**3) (kbar) P= 9.40 total stress (Ry/bohr**3) (kbar) P= 4.68 total stress (Ry/bohr**3) (kbar) P= 20.92 total stress (Ry/bohr**3) (kbar) P= 17.04 total stress (Ry/bohr**3) (kbar) P= 118.68 total stress (Ry/bohr**3) (kbar) P= 119.66 total stress (Ry/bohr**3) (kbar) P= 70.77 total stress (Ry/bohr**3) (kbar) P= 117.83 total stress (Ry/bohr**3) (kbar) P= 416.49 total stress (Ry/bohr**3) (kbar) P= 25.15 total stress (Ry/bohr**3) (kbar) P= -56.50 total stress (Ry/bohr**3) (kbar) P= -74.84 total stress (Ry/bohr**3) (kbar) P= -72.93 total stress (Ry/bohr**3) (kbar) P= -90.38 total stress (Ry/bohr**3) (kbar) P= -29.06 total stress (Ry/bohr**3) (kbar) P= -75.48 total stress (Ry/bohr**3) (kbar) P= -46.72 total stress (Ry/bohr**3) (kbar) P= -50.62 total stress (Ry/bohr**3) (kbar) P= -45.75 total stress (Ry/bohr**3) (kbar) P= -12.04 total stress (Ry/bohr**3) (kbar) P= -24.09 Total force = 0.000305 Total SCF correction = 0.000006 Total force = 0.000306 Total SCF correction = 0.000003 Total force = 0.000719 Total SCF correction = 0.000004 Total force = 0.000815 Total SCF correction = 0.000001 Total force = 0.000861 Total SCF correction = 0.000001 Total force = 0.002101 Total SCF correction = 0.000001 Total force = 0.005080 Total SCF correction = 0.000005 Total force = 0.006280 Total SCF correction = 0.000007 Total force = 0.011036 Total SCF correction = 0.000002 Total force = 0.012536 Total SCF correction = 0.000002 Total force = 0.022464 Total SCF correction = 0.000002 Total force = 0.025995 Total SCF correction = 0.000005 Total force = 0.044347 Total SCF correction = 0.000002 Total force = 0.040075 Total SCF correction = 0.000007 Total force = 0.060012 Total SCF correction = 0.000002 Total force = 0.057561 Total SCF correction = 0.000003 Total force = 0.098294 Total SCF correction = 0.000002 Total force = 0.089164 Total SCF correction = 0.000003 Total force = 0.150328 Total SCF correction = 0.000003 Total force = 0.135543 Total SCF correction = 0.000002 Total force = 0.199603 Total SCF correction = 0.000005 Total force = 0.165836 Total SCF correction = 0.000002 Total force = 0.195348 Total SCF correction = 0.000002 Total force = 0.160204 Total SCF correction = 0.000002 Total force = 0.171905 Total SCF correction = 0.000002 Total force = 0.136578 Total SCF correction = 0.000001 Total force = 0.114951 Total SCF correction = 0.000001 Total force = 0.096067 Total SCF correction = 0.000002 Total force = 0.098908 Total SCF correction = 0.000002 Total force = 0.123654 Total SCF correction = 0.000002 Total force = 0.150743 Total SCF correction = 0.000006 Total force = 0.228356 Total SCF correction = 0.000001 Total force = 0.262482 Total SCF correction = 0.000003 Total force = 0.289796 Total SCF correction = 0.000004 Total force = 0.197045 Total SCF correction = 0.000005 Total force = 0.228372 Total SCF correction = 0.000001 Total force = 0.214368 Total SCF correction = 0.000003 Total force = 0.274271 Total SCF correction = 0.000005 Total force = 0.375023 Total SCF correction = 0.000004 Total force = 0.262098 Total SCF correction = 0.000003 Total force = 0.284821 Total SCF correction = 0.000004 Total force = 0.250937 Total SCF correction = 0.000005 Total force = 0.245324 Total SCF correction = 0.000005 Total force = 0.184633 Total SCF correction = 0.000003 Total force = 0.181882 Total SCF correction = 0.000004 Total force = 0.131343 Total SCF correction = 0.000002 Total force = 0.113294 Total SCF correction = 0.000002 Total force = 0.120714 Total SCF correction = 0.000005 Total force = 0.190141 Total SCF correction = 0.000001 Total force = 0.261399 Total SCF correction = 0.000004 Total force = 0.248584 Total SCF correction = 0.000004 Total force = 0.253978 Total SCF correction = 0.000003 Total force = 0.235965 Total SCF correction = 0.000002 Total force = 0.197073 Total SCF correction = 0.000002 Total force = 0.202212 Total SCF correction = 0.000003 Total force = 0.300780 Total SCF correction = 0.000005 Total force = 0.432355 Total SCF correction = 0.000005 Total force = 0.300852 Total SCF correction = 0.000002 Total force = 0.231139 Total SCF correction = 0.000006 Total force = 0.285982 Total SCF correction = 0.000005 Total force = 0.421418 Total SCF correction = 0.000006 Total force = 0.223609 Total SCF correction = 0.000004 Total force = 0.214923 Total SCF correction = 0.000003 Total force = 0.278980 Total SCF correction = 0.000003 Total force = 0.217583 Total SCF correction = 0.000004 Total force = 0.303806 Total SCF correction = 0.000007 Total force = 0.293172 Total SCF correction = 0.000005 Total force = 0.251204 Total SCF correction = 0.000005 Total force = 0.295969 Total SCF correction = 0.000004 Total force = 0.335118 Total SCF correction = 0.000003 Total force = 0.230937 Total SCF correction = 0.000002 Total force = 0.202676 Total SCF correction = 0.000003 Total force = 0.425904 Total SCF correction = 0.000006 Total force = 0.352368 Total SCF correction = 0.000003 Total force = 0.335607 Total SCF correction = 0.000007 Total force = 0.407843 Total SCF correction = 0.000005 Total force = 0.590038 Total SCF correction = 0.000002 Total force = 0.401834 Total SCF correction = 0.000004 Total force = 0.747157 Total SCF correction = 0.000002 Total force = 0.780026 Total SCF correction = 0.000006 Total force = 2.173026 Total SCF correction = 0.000006 Total force = 2.077949 Total SCF correction = 0.000006 Total force = 1.019095 Total SCF correction = 0.000005 Total force = 2.472035 Total SCF correction = 0.000008 Total force = 8.409445 Total SCF correction = 0.000004 Total force = 2.424022 Total SCF correction = 0.000003 Total force = 0.551960 Total SCF correction = 0.000005 Total force = 0.555148 Total SCF correction = 0.000003 Total force = 1.474897 Total SCF correction = 0.000002 Total force = 0.390864 Total SCF correction = 0.000002 Total force = 7.584008 Total SCF correction = 0.000003 Total force = 0.464120 Total SCF correction = 0.000002 Total force = 1.061582 Total SCF correction = 0.000002 Total force = 0.524559 Total SCF correction = 0.000003 Total force = 0.774604 Total SCF correction = 0.000004 Total force = 16.862174 Total SCF correction = 0.000003 Total force = 2.644191 Total SCF correction = 0.000005 initial structure: new lattice vectors (alat unit) : 0.966177740 -0.234205969 -0.106274379 -0.004670033 0.911371915 -0.004161014 -0.013172572 -0.003577598 0.886799552 new unit-cell volume = 1428.0756 (a.u.)^3 new lattice vectors (alat unit) : 1.294487603 -0.244155952 -0.191097151 0.071191881 1.426755040 0.218868247 0.013259692 0.214495352 1.582920578 new unit-cell volume = 5301.2227 (a.u.)^3