[Wed Mar 15 11:18:20 CST 2023] [MD] [warn] 'Starting MedeA Core 3.6.0' MedeA version 3.6.0 #------------------------------------------------------------------------------- # This calculation has 1 stage #------------------------------------------------------------------------------- Stage 1: VASP 6 #------------------------------------------------------------------------------- # Running the calculation #------------------------------------------------------------------------------- Stage 1: VASP 6 Sucessfully opened MedeA database from /home/medea/MD/Databases/MedeA.db VASP 6 CALCULATION PROTOCOL: ============================ 1. Geometry optimization (atom positions, unit cell shape, unit cell volume) VASP parameters =============== This is a calculation based on density functional theory and the GGA-PBE exchange-correlation functional for describing the interactions. Van der Waals interactions are added by means of a forcefield (DFT+D2 approach of S. Grimme). Since no magnetic moments are in the model, this is a non-magnetic calculation using 'accurate' precision and a user-defined planewave cutoff energy of 750.000 eV. The electronic iterations convergence is 1.00E-04 eV using the Normal (blocked Davidson) algorithm and reciprocal space projection operators. The requested k-spacing is 0.5 per Angstrom, which leads to a 3x4x1 mesh. This corresponds to actual k-spacings of 0.361 x 0.437 x 0.263 per Angstrom. The k-mesh is forced to be centered on the gamma point. Using Gaussian smearing with a width of 0.05 eV. Other non-default parameters: Convergence criterion for ionic relaxations is 0.04 eV/Ang Number of steps is 600 ========================================== Using version 4.0 GGA-PBE / PAW potentials: Mg PAW_PBE Mg 13Apr2007 S PAW_PBE S 06Sep2000 O PAW_PBE O 08Apr2002 H PAW_PBE H 15Jun2001 There are 7 symmetry-unique k-points The plane wave cutoff is 750.00 eV VASP energy: -511.638361 eV for Mg4S4O40H48 cell Non-dispersive: -505.804571 eV Van der Waals: -5.833790 eV Initial VASP energy: -511.609650 eV for Mg4S4O40H48 cell Relaxation energy: -0.028711 eV gained after 23 optimization steps. Electronic contributions: Empirical Formula Cell MgSO10H12 (MgSO10H12)4 ----------------- ----------------- VASP Energy -127.909590 -511.638361 eV = -12341.396 -49365.585 kJ/mol Cell parameters: Parameter Original change Final % ---------- ------------ ---------- ------------ ----- a 9.966340 -0.062792 9.903548 -0.6 b 6.145458 -0.020433 6.125024 -0.3 c 24.241017 -0.008692 24.232324 -0.0 alpha 97.413970 0.024584 97.438554 0.0 beta 99.156657 0.058202 99.214859 0.1 gamma 35.818938 0.236327 36.055264 0.7 Volume 857.816447 -3.837415 853.979032 -0.4 Density: 1.777 Mg/m^3 The pressure given below is exerted by the system according to its volume. Positive pressure would cause expansion during full geometry optimization. Pressure: 11.000 MPa = 110.000 bar XX YY ZZ YZ XZ XY Stress: -2.163 -25.014 -5.911 -0.000 -13.875 0.000 MPa = -21.630 -250.140 -59.110 -0.000 -138.750 0.000 bar The stress tensor above is imposed on the system, i.e. negative values of diagonal components would cause expansion of the corresponding lattice parameter upon full geometry optimization. The pressure and stress include only electronic terms, i.e. the vibrational, temperature and other terms are not included here. Fractional Coordinates: Atom Initial Coordinates Final Coordinates ----- -------- -------- -------- -------- -------- -------- Mg1 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Mg2 0.0000 0.0000 0.5000 0.0000 0.0000 0.5000 Mg3 0.0604 0.8792 0.2500 0.0617 0.8765 0.2500 Mg4 0.9396 0.1208 0.7500 0.9383 0.1235 0.7500 S1 0.4230 0.8932 0.1232 0.4236 0.8931 0.1232 S2 0.6838 0.8932 0.3768 0.6833 0.8931 0.3768 S3 0.5770 0.1068 0.8768 0.5764 0.1069 0.8768 S4 0.3162 0.1068 0.6232 0.3167 0.1069 0.6232 O1 0.1792 0.1893 0.1361 0.1791 0.1885 0.1358 O2 0.6315 0.1893 0.3639 0.6324 0.1885 0.3642 O3 0.8208 0.8107 0.8639 0.8209 0.8115 0.8642 O4 0.3685 0.8107 0.6361 0.3676 0.8115 0.6358 O5 0.5490 0.8813 0.1679 0.5497 0.8824 0.1680 O6 0.5697 0.8813 0.3321 0.5679 0.8824 0.3320 O7 0.4510 0.1187 0.8321 0.4503 0.1176 0.8320 O8 0.4303 0.1187 0.6679 0.4321 0.1176 0.6680 O9 0.4218 0.9813 0.0681 0.4228 0.9807 0.0679 O10 0.5969 0.9813 0.4319 0.5965 0.9807 0.4321 O11 0.5782 0.0187 0.9319 0.5772 0.0193 0.9321 O12 0.4031 0.0187 0.5681 0.4035 0.0193 0.5679 O13 0.5361 0.5256 0.1182 0.5365 0.5258 0.1182 O14 0.9383 0.5256 0.3818 0.9377 0.5258 0.3818 O15 0.4639 0.4744 0.8818 0.4635 0.4742 0.8818 O16 0.0617 0.4744 0.6182 0.0623 0.4742 0.6182 O17 0.8695 0.4417 0.0465 0.8695 0.4405 0.0457 O18 0.6887 0.4417 0.4535 0.6900 0.4405 0.4543 O19 0.1305 0.5583 0.9535 0.1305 0.5595 0.9543 O20 0.3113 0.5583 0.5465 0.3100 0.5595 0.5457 H1 0.9680 0.3764 0.0799 0.9671 0.3768 0.0794 H2 0.6556 0.3764 0.4201 0.6561 0.3768 0.4206 H3 0.0320 0.6236 0.9201 0.0329 0.6232 0.9206 H4 0.3444 0.6236 0.5799 0.3439 0.6232 0.5794 H5 0.7083 0.6485 0.0559 0.7080 0.6476 0.0550 H6 0.6432 0.6485 0.4441 0.6445 0.6476 0.4450 H7 0.2917 0.3515 0.9441 0.2920 0.3524 0.9450 H8 0.3568 0.3515 0.5559 0.3555 0.3524 0.5550 O21 0.2083 0.6554 0.0693 0.2035 0.6590 0.0695 O22 0.1364 0.6554 0.4307 0.1375 0.6590 0.4305 O23 0.7917 0.3446 0.9307 0.7965 0.3410 0.9305 O24 0.8636 0.3446 0.5693 0.8625 0.3410 0.5695 H9 0.2768 0.4173 0.0666 0.2728 0.4203 0.0661 H10 0.3059 0.4173 0.4334 0.3069 0.4203 0.4339 H11 0.7232 0.5827 0.9334 0.7272 0.5797 0.9339 H12 0.6941 0.5827 0.5666 0.6931 0.5797 0.5661 H13 0.3246 0.6041 0.0908 0.3211 0.6060 0.0909 H14 0.0713 0.6041 0.4092 0.0729 0.6060 0.4091 H15 0.6754 0.3959 0.9092 0.6789 0.3940 0.9091 H16 0.9287 0.3959 0.5908 0.9271 0.3940 0.5909 O25 0.7558 0.1094 0.0211 0.7540 0.1102 0.0209 O26 0.1348 0.1094 0.4789 0.1358 0.1102 0.4791 O27 0.2442 0.8906 0.9789 0.2460 0.8898 0.9791 O28 0.8652 0.8906 0.5211 0.8642 0.8898 0.5209 H17 0.6593 0.2722 0.0520 0.6576 0.2742 0.0517 H18 0.0685 0.2722 0.4480 0.0682 0.2742 0.4483 H19 0.3407 0.7278 0.9480 0.3424 0.7258 0.9483 H20 0.9315 0.7278 0.5520 0.9318 0.7258 0.5517 H21 0.6907 0.0667 0.9963 0.6855 0.0738 0.9955 H22 0.2426 0.0667 0.5037 0.2407 0.0738 0.5045 H23 0.3093 0.9333 0.0037 0.3145 0.9262 0.0045 H24 0.7574 0.9333 0.4963 0.7593 0.9262 0.4955 O29 0.7327 0.2972 0.2806 0.7342 0.2933 0.2809 O30 0.9702 0.2972 0.2194 0.9726 0.2933 0.2191 O31 0.2673 0.7028 0.7194 0.2658 0.7067 0.7191 O32 0.0298 0.7028 0.7806 0.0274 0.7067 0.7809 H25 0.7294 0.2003 0.3092 0.7329 0.1962 0.3103 H26 0.0703 0.2003 0.1908 0.0709 0.1962 0.1897 H27 0.2706 0.7997 0.6908 0.2671 0.8038 0.6897 H28 0.9297 0.7997 0.8092 0.9291 0.8038 0.8103 H29 0.6708 0.5190 0.2984 0.6722 0.5159 0.2984 H30 0.8102 0.5190 0.2016 0.8119 0.5159 0.2016 H31 0.3292 0.4810 0.7016 0.3278 0.4841 0.7016 H32 0.1898 0.4810 0.7984 0.1881 0.4841 0.7984 O33 0.1361 0.4908 0.2823 0.1329 0.4921 0.2814 O34 0.3731 0.4908 0.2177 0.3750 0.4921 0.2186 O35 0.8639 0.5092 0.7177 0.8671 0.5079 0.7186 O36 0.6269 0.5092 0.7823 0.6250 0.5079 0.7814 H33 0.2902 0.2663 0.3015 0.2853 0.2700 0.3013 H34 0.4434 0.2663 0.1985 0.4447 0.2700 0.1987 H35 0.7098 0.7337 0.6985 0.7147 0.7300 0.6987 H36 0.5566 0.7337 0.8015 0.5553 0.7300 0.8013 H37 0.0740 0.4278 0.2653 0.0718 0.4274 0.2634 H38 0.4982 0.4278 0.2347 0.5009 0.4274 0.2366 H39 0.9260 0.5722 0.7347 0.9282 0.5726 0.7366 H40 0.5018 0.5722 0.7653 0.4991 0.5726 0.7634 O37 0.9125 0.8837 0.1793 0.9144 0.8826 0.1788 O38 0.2037 0.8837 0.3207 0.2030 0.8826 0.3212 O39 0.0875 0.1163 0.8207 0.0856 0.1174 0.8212 O40 0.7963 0.1163 0.6793 0.7970 0.1174 0.6788 H41 0.0060 0.6553 0.1573 0.0058 0.6569 0.1563 H42 0.3388 0.6553 0.3427 0.3373 0.6569 0.3437 H43 0.9940 0.3447 0.8427 0.9942 0.3431 0.8437 H44 0.6612 0.3447 0.6573 0.6627 0.3431 0.6563 H45 0.7878 0.1014 0.1544 0.7885 0.1026 0.1544 H46 0.1108 0.1014 0.3456 0.1088 0.1026 0.3456 H47 0.2122 0.8986 0.8456 0.2115 0.8974 0.8456 H48 0.8892 0.8986 0.6544 0.8912 0.8974 0.6544 Analytic Derivatives: Atom Derivatives fractional Derivatives Cartesian (eV/Ang) ----- -------- -------- -------- -------- -------- -------- Mg1 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 Mg2 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 Mg3 -0.0040 0.0079 -0.0000 -0.0000 0.0284 0.0000 Mg4 0.0040 -0.0079 0.0000 0.0000 -0.0284 -0.0000 S1 -0.0017 0.0011 -0.0002 -0.0101 0.0041 -0.0049 S2 0.0005 0.0011 0.0002 0.0101 0.0041 0.0049 S3 0.0017 -0.0011 0.0002 0.0101 -0.0041 0.0049 S4 -0.0005 -0.0011 -0.0002 -0.0101 -0.0041 -0.0049 O1 -0.0026 0.0027 -0.0007 -0.0095 0.0097 -0.0163 O2 -0.0001 0.0027 0.0007 0.0095 0.0097 0.0163 O3 0.0026 -0.0027 0.0007 0.0095 -0.0097 0.0163 O4 0.0001 -0.0027 -0.0007 -0.0095 -0.0097 -0.0163 O5 0.0044 -0.0030 0.0002 0.0285 -0.0108 0.0049 maximum gradient = 0.0309 O6 -0.0014 -0.0030 -0.0002 -0.0285 -0.0108 -0.0049 O7 -0.0044 0.0030 -0.0002 -0.0285 0.0108 -0.0049 O8 0.0014 0.0030 0.0002 0.0285 0.0108 0.0049 O9 -0.0005 0.0043 -0.0000 0.0161 0.0153 -0.0011 O10 -0.0037 0.0043 0.0000 -0.0161 0.0153 0.0011 O11 0.0005 -0.0043 0.0000 -0.0161 -0.0153 0.0011 O12 0.0037 -0.0043 -0.0000 0.0161 -0.0153 -0.0011 O13 0.0010 -0.0043 0.0002 -0.0126 -0.0156 0.0058 O14 0.0033 -0.0043 -0.0002 0.0126 -0.0156 -0.0058 O15 -0.0010 0.0043 -0.0002 0.0126 0.0156 -0.0058 O16 -0.0033 0.0043 0.0002 -0.0126 0.0156 0.0058 O17 0.0018 -0.0005 0.0005 0.0132 -0.0019 0.0130 O18 -0.0013 -0.0005 -0.0005 -0.0132 -0.0019 -0.0130 O19 -0.0018 0.0005 -0.0005 -0.0132 0.0019 -0.0130 O20 0.0013 0.0005 0.0005 0.0132 0.0019 0.0130 H1 -0.0006 0.0015 -0.0003 0.0029 0.0054 -0.0079 H2 -0.0009 0.0015 0.0003 -0.0029 0.0054 0.0079 H3 0.0006 -0.0015 0.0003 -0.0029 -0.0054 0.0079 H4 0.0009 -0.0015 -0.0003 0.0029 -0.0054 -0.0079 H5 0.0002 0.0004 0.0003 0.0035 0.0016 0.0060 H6 -0.0007 0.0004 -0.0003 -0.0035 0.0016 -0.0060 H7 -0.0002 -0.0004 -0.0003 -0.0035 -0.0016 -0.0060 H8 0.0007 -0.0004 0.0003 0.0035 -0.0016 0.0060 O21 0.0025 -0.0030 0.0004 0.0082 -0.0108 0.0099 O22 0.0005 -0.0030 -0.0004 -0.0082 -0.0108 -0.0099 O23 -0.0025 0.0030 -0.0004 -0.0082 0.0108 -0.0099 O24 -0.0005 0.0030 0.0004 0.0082 0.0108 0.0099 H9 -0.0018 0.0024 0.0001 -0.0063 0.0087 0.0021 H10 -0.0006 0.0024 -0.0001 0.0063 0.0087 -0.0021 H11 0.0018 -0.0024 -0.0001 0.0063 -0.0087 -0.0021 H12 0.0006 -0.0024 0.0001 -0.0063 -0.0087 0.0021 H13 -0.0007 0.0017 0.0005 -0.0005 0.0063 0.0112 H14 -0.0010 0.0017 -0.0005 0.0005 0.0063 -0.0112 H15 0.0007 -0.0017 -0.0005 0.0005 -0.0063 -0.0112 H16 0.0010 -0.0017 0.0005 -0.0005 -0.0063 0.0112 O25 -0.0051 0.0072 -0.0004 -0.0129 0.0260 -0.0090 O26 -0.0022 0.0072 0.0004 0.0129 0.0260 0.0090 O27 0.0051 -0.0072 0.0004 0.0129 -0.0260 0.0090 O28 0.0022 -0.0072 -0.0004 -0.0129 -0.0260 -0.0090 H17 -0.0002 0.0012 0.0002 0.0028 0.0042 0.0046 H18 -0.0009 0.0012 -0.0002 -0.0028 0.0042 -0.0046 H19 0.0002 -0.0012 -0.0002 -0.0028 -0.0042 -0.0046 H20 0.0009 -0.0012 0.0002 0.0028 -0.0042 0.0046 H21 -0.0003 -0.0008 -0.0006 -0.0049 -0.0028 -0.0145 H22 0.0011 -0.0008 0.0006 0.0049 -0.0028 0.0145 H23 0.0003 0.0008 0.0006 0.0049 0.0028 0.0145 H24 -0.0011 0.0008 -0.0006 -0.0049 0.0028 -0.0145 O29 -0.0032 0.0060 0.0004 -0.0031 0.0217 0.0097 O30 -0.0029 0.0060 -0.0004 0.0031 0.0217 -0.0097 O31 0.0032 -0.0060 -0.0004 0.0031 -0.0217 -0.0097 O32 0.0029 -0.0060 0.0004 -0.0031 -0.0217 0.0097 H25 0.0011 -0.0028 0.0002 -0.0034 -0.0101 0.0050 H26 0.0017 -0.0028 -0.0002 0.0034 -0.0101 -0.0050 H27 -0.0011 0.0028 -0.0002 0.0034 0.0101 -0.0050 H28 -0.0017 0.0028 0.0002 -0.0034 0.0101 0.0050 H29 0.0022 -0.0028 0.0001 0.0076 -0.0101 0.0026 H30 0.0006 -0.0028 -0.0001 -0.0076 -0.0101 -0.0026 H31 -0.0022 0.0028 -0.0001 -0.0076 0.0101 -0.0026 H32 -0.0006 0.0028 0.0001 0.0076 0.0101 0.0026 O33 0.0024 -0.0055 0.0003 -0.0041 -0.0197 0.0063 O34 0.0031 -0.0055 -0.0003 0.0041 -0.0197 -0.0063 O35 -0.0024 0.0055 -0.0003 0.0041 0.0197 -0.0063 O36 -0.0031 0.0055 0.0003 -0.0041 0.0197 0.0063 H33 -0.0017 0.0003 -0.0005 -0.0135 0.0012 -0.0110 H34 0.0014 0.0003 0.0005 0.0135 0.0012 0.0110 H35 0.0017 -0.0003 0.0005 0.0135 -0.0012 0.0110 H36 -0.0014 -0.0003 -0.0005 -0.0135 -0.0012 -0.0110 H37 0.0002 -0.0021 -0.0002 -0.0077 -0.0077 -0.0059 H38 0.0019 -0.0021 0.0002 0.0077 -0.0077 0.0059 H39 -0.0002 0.0021 0.0002 0.0077 0.0077 0.0059 H40 -0.0019 0.0021 -0.0002 -0.0077 0.0077 -0.0059 O37 -0.0037 0.0049 -0.0005 -0.0102 0.0176 -0.0127 O38 -0.0012 0.0049 0.0005 0.0102 0.0176 0.0127 O39 0.0037 -0.0049 0.0005 0.0102 -0.0176 0.0127 O40 0.0012 -0.0049 -0.0005 -0.0102 -0.0176 -0.0127 H41 0.0034 -0.0057 -0.0003 0.0071 -0.0203 -0.0061 H42 0.0022 -0.0057 0.0003 -0.0071 -0.0203 0.0061 H43 -0.0034 0.0057 0.0003 -0.0071 0.0203 0.0061 H44 -0.0022 0.0057 -0.0003 0.0071 0.0203 -0.0061 H45 -0.0003 0.0020 -0.0001 0.0073 0.0073 -0.0026 H46 -0.0017 0.0020 0.0001 -0.0073 0.0073 0.0026 H47 0.0003 -0.0020 0.0001 -0.0073 -0.0073 0.0026 H48 0.0017 -0.0020 -0.0001 0.0073 -0.0073 -0.0026 Atomic partial charges (electron charges): Atom s p d total ----- -------- -------- -------- -------- Mg1 0.272 0.423 0.279 0.974 Mg2 0.272 0.423 0.279 0.974 Mg3 0.268 0.412 0.268 0.948 Mg4 0.268 0.412 0.268 0.948 S1 1.052 1.901 0.807 3.760 S2 1.052 1.901 0.807 3.760 S3 1.052 1.901 0.807 3.760 S4 1.052 1.901 0.807 3.760 O1 1.265 2.903 0.015 4.183 O2 1.265 2.903 0.015 4.183 O3 1.265 2.903 0.015 4.183 O4 1.265 2.903 0.015 4.183 O5 1.266 2.906 0.016 4.188 O6 1.266 2.906 0.016 4.188 O7 1.266 2.906 0.016 4.188 O8 1.266 2.906 0.016 4.188 O9 1.268 2.897 0.015 4.180 O10 1.268 2.897 0.015 4.180 O11 1.268 2.897 0.015 4.180 O12 1.268 2.897 0.015 4.180 O13 1.266 2.902 0.015 4.184 O14 1.266 2.902 0.015 4.184 O15 1.266 2.902 0.015 4.184 O16 1.266 2.902 0.015 4.184 O17 1.234 2.989 0.012 4.234 O18 1.234 2.989 0.012 4.234 O19 1.234 2.989 0.012 4.234 O20 1.234 2.989 0.012 4.234 H1 0.149 0.006 0.000 0.155 H2 0.149 0.006 0.000 0.155 H3 0.149 0.006 0.000 0.155 H4 0.149 0.006 0.000 0.155 H5 0.147 0.006 0.000 0.154 H6 0.147 0.006 0.000 0.154 H7 0.147 0.006 0.000 0.154 H8 0.147 0.006 0.000 0.154 O21 1.235 2.987 0.012 4.234 O22 1.235 2.987 0.012 4.234 O23 1.235 2.987 0.012 4.234 O24 1.235 2.987 0.012 4.234 H9 0.147 0.006 0.000 0.154 H10 0.147 0.006 0.000 0.154 H11 0.147 0.006 0.000 0.154 H12 0.147 0.006 0.000 0.154 H13 0.150 0.006 0.000 0.156 H14 0.150 0.006 0.000 0.156 H15 0.150 0.006 0.000 0.156 H16 0.150 0.006 0.000 0.156 O25 1.232 2.992 0.012 4.236 O26 1.232 2.992 0.012 4.236 O27 1.232 2.992 0.012 4.236 O28 1.232 2.992 0.012 4.236 H17 0.150 0.006 0.000 0.156 H18 0.150 0.006 0.000 0.156 H19 0.150 0.006 0.000 0.156 H20 0.150 0.006 0.000 0.156 H21 0.149 0.006 0.000 0.156 H22 0.149 0.006 0.000 0.156 H23 0.149 0.006 0.000 0.156 H24 0.149 0.006 0.000 0.156 O29 1.236 2.978 0.012 4.226 O30 1.236 2.978 0.012 4.226 O31 1.236 2.978 0.012 4.226 O32 1.236 2.978 0.012 4.226 H25 0.147 0.006 0.000 0.153 H26 0.147 0.006 0.000 0.153 H27 0.147 0.006 0.000 0.153 H28 0.147 0.006 0.000 0.153 H29 0.144 0.006 0.000 0.150 H30 0.144 0.006 0.000 0.150 H31 0.144 0.006 0.000 0.150 H32 0.144 0.006 0.000 0.150 O33 1.231 2.991 0.012 4.234 O34 1.231 2.991 0.012 4.234 O35 1.231 2.991 0.012 4.234 O36 1.231 2.991 0.012 4.234 H33 0.147 0.006 0.000 0.153 H34 0.147 0.006 0.000 0.153 H35 0.147 0.006 0.000 0.153 H36 0.147 0.006 0.000 0.153 H37 0.148 0.006 0.000 0.155 H38 0.148 0.006 0.000 0.155 H39 0.148 0.006 0.000 0.155 H40 0.148 0.006 0.000 0.155 O37 1.231 2.993 0.012 4.236 O38 1.231 2.993 0.012 4.236 O39 1.231 2.993 0.012 4.236 O40 1.231 2.993 0.012 4.236 H41 0.149 0.006 0.000 0.156 H42 0.149 0.006 0.000 0.156 H43 0.149 0.006 0.000 0.156 H44 0.149 0.006 0.000 0.156 H45 0.147 0.006 0.000 0.154 H46 0.147 0.006 0.000 0.154 H47 0.147 0.006 0.000 0.154 H48 0.147 0.006 0.000 0.154 Analysis of the electronic structure: The system is an insulator with an indirect gap of 5.371 eV. The valence band (#160) maximum is located near (0.33 -0.00 -0.00), at -0.246 eV with respect to the Fermi level. The conduction band (#161) minimum is located near (0.00 0.00 0.00), at 5.125 eV with respect to the Fermi level. The center of the gap is located at 2.439291 eV with respect to the Fermi level. The Fermi energy is used as the zero of the energy scale. Job completed on Wed 15 March 2023 at 14:23:53 CST after 11128 s (3:05:28) Entire job completed on Wed 15 March 2023 at 14:23:53 CST after 11128 s (3:05:28) and running 1 tasks.