[Wed Mar 15 16:32:06 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 800.000 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 0.262 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 0.05 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 800.00 eV VASP energy: -511.656087 eV for Mg4S4O40H48 cell Non-dispersive: -505.853417 eV Van der Waals: -5.802670 eV Initial VASP energy: -447.508320 eV for Mg4S4O40H48 cell Relaxation energy: -64.147767 eV gained after 53 optimization steps. Electronic contributions: Empirical Formula Cell MgSO10H12 (MgSO10H12)4 ----------------- ----------------- VASP Energy -127.914022 -511.656087 eV = -12341.824 -49367.296 kJ/mol Cell parameters: Parameter Original change Final % ---------- ------------ ---------- ------------ ----- a 9.975000 -0.034500 9.940500 -0.3 b 6.146935 -0.009192 6.137743 -0.1 c 24.267000 -0.031217 24.235783 -0.1 alpha 97.114335 0.311209 97.425544 0.3 beta 98.780000 0.403397 99.183397 0.4 gamma 35.769016 0.156082 35.925098 0.4 Volume 859.541749 -3.080712 856.461037 -0.4 Density: 1.772 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: -21.000 MPa = -210.000 bar XX YY ZZ YZ XZ XY Stress: 58.071 19.666 -14.745 -0.000 47.466 -0.000 MPa = 580.710 196.660 -147.450 -0.000 474.660 -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 0.0610 0.8779 0.2500 0.0613 0.8773 0.2500 Mg4 0.9390 0.1221 0.7500 0.9387 0.1227 0.7500 S1 0.4226 0.8928 0.1231 0.4230 0.8931 0.1232 S2 0.6845 0.8928 0.3769 0.6839 0.8931 0.3768 S3 0.5774 0.1072 0.8769 0.5770 0.1069 0.8768 S4 0.3155 0.1072 0.6231 0.3161 0.1069 0.6232 O1 0.1818 0.1867 0.1360 0.1786 0.1887 0.1359 O2 0.6315 0.1867 0.3640 0.6327 0.1887 0.3641 O3 0.8182 0.8133 0.8640 0.8214 0.8113 0.8641 O4 0.3685 0.8133 0.6360 0.3673 0.8113 0.6359 O5 0.5471 0.8825 0.1664 0.5488 0.8822 0.1679 O6 0.5703 0.8825 0.3336 0.5690 0.8822 0.3321 O7 0.4529 0.1175 0.8336 0.4512 0.1178 0.8321 O8 0.4297 0.1175 0.6664 0.4310 0.1178 0.6679 O9 0.4217 0.9773 0.0683 0.4221 0.9809 0.0680 O10 0.6010 0.9773 0.4317 0.5971 0.9809 0.4320 O11 0.5783 0.0227 0.9317 0.5779 0.0191 0.9320 O12 0.3990 0.0227 0.5683 0.4029 0.0191 0.5680 O13 0.5348 0.5297 0.1192 0.5370 0.5247 0.1182 O14 0.9355 0.5297 0.3808 0.9383 0.5247 0.3818 O15 0.4652 0.4703 0.8808 0.4630 0.4753 0.8818 O16 0.0645 0.4703 0.6192 0.0617 0.4753 0.6182 O17 0.8715 0.4318 0.0468 0.8688 0.4411 0.0462 O18 0.6967 0.4318 0.4532 0.6901 0.4411 0.4538 O19 0.1285 0.5682 0.9532 0.1312 0.5589 0.9538 O20 0.3033 0.5682 0.5468 0.3099 0.5589 0.5462 H1 0.9490 0.3880 0.0748 -0.0338 0.3788 0.0797 H2 0.6630 0.3880 0.4252 0.6550 0.3788 0.4203 H3 0.0510 0.6120 0.9252 0.0338 0.6212 0.9203 H4 0.3370 0.6120 0.5748 0.3450 0.6212 0.5797 H5 0.7470 0.6040 0.0558 0.7077 0.6485 0.0557 H6 0.6490 0.6040 0.4442 0.6438 0.6485 0.4443 H7 0.2530 0.3960 0.9442 0.2923 0.3515 0.9443 H8 0.3510 0.3960 0.5558 0.3562 0.3515 0.5557 O21 0.2108 0.6494 0.0672 0.2070 0.6559 0.0692 O22 0.1398 0.6494 0.4328 0.1372 0.6559 0.4308 O23 0.7892 0.3506 0.9328 0.7930 0.3441 0.9308 O24 0.8602 0.3506 0.5672 0.8628 0.3441 0.5692 H9 0.2740 0.4540 0.0681 0.2750 0.4185 0.0664 H10 0.2720 0.4540 0.4319 0.3065 0.4185 0.4336 H11 0.7260 0.5460 0.9319 0.7250 0.5815 0.9336 H12 0.7280 0.5460 0.5681 0.6935 0.5815 0.5664 H13 0.3020 0.6180 0.0868 0.3247 0.6019 0.0906 H14 0.0800 0.6180 0.4132 0.0734 0.6019 0.4094 H15 0.6980 0.3820 0.9132 0.6753 0.3981 0.9094 H16 0.9200 0.3820 0.5868 0.9266 0.3981 0.5906 O25 0.7594 0.1042 0.0214 0.7539 0.1118 0.0207 O26 0.1364 0.1042 0.4786 0.1343 0.1118 0.4793 O27 0.2406 0.8958 0.9786 0.2461 -0.1118 0.9793 O28 0.8636 0.8958 0.5214 0.8657 -0.1118 0.5207 H17 0.6790 0.2460 0.0456 0.6596 0.2713 0.0521 H18 0.0750 0.2460 0.4544 0.0691 0.2713 0.4479 H19 0.3210 0.7540 0.9544 0.3404 0.7287 0.9479 H20 0.9250 0.7540 0.5456 0.9309 0.7287 0.5521 H21 0.7110 0.0640 0.0008 0.6879 0.0700 -0.0041 H22 0.2250 0.0640 0.4992 0.2421 0.0700 0.5041 H23 0.2890 0.9360 0.9992 0.3121 0.9300 0.0041 H24 0.7750 0.9360 0.5008 0.7579 0.9300 0.4959 O29 0.7422 0.2884 0.2819 0.7327 0.2955 0.2807 O30 0.9694 0.2884 0.2181 0.9718 0.2955 0.2193 O31 0.2578 0.7116 0.7181 0.2673 0.7045 0.7193 O32 0.0306 0.7116 0.7819 0.0282 0.7045 0.7807 H25 0.7350 0.2120 0.3027 0.7312 0.1988 0.3100 H26 0.0530 0.2120 0.1973 0.0700 0.1988 0.1900 H27 0.2650 0.7880 0.6973 0.2688 0.8012 0.6900 H28 0.9470 0.7880 0.8027 0.9300 0.8012 0.8100 H29 0.6850 0.4780 0.2957 0.6710 0.5174 0.2984 H30 0.8370 0.4780 0.2043 0.8117 0.5174 0.2016 H31 0.3150 0.5220 0.7043 0.3290 0.4826 0.7016 H32 0.1630 0.5220 0.7957 0.1883 0.4826 0.7984 O33 0.1425 0.4830 0.2806 0.1347 0.4908 0.2818 O34 0.3745 0.4830 0.2194 0.3745 0.4908 0.2182 O35 0.8575 0.5170 0.7194 0.8653 0.5092 0.7182 O36 0.6255 0.5170 0.7806 0.6255 0.5092 0.7818 H33 0.2640 0.3000 0.2958 0.2876 0.2691 0.3016 H34 0.4360 0.3000 0.2042 0.4434 0.2691 0.1984 H35 0.7360 0.7000 0.7042 0.7124 0.7309 0.6984 H36 0.5640 0.7000 0.7958 0.5566 0.7309 0.8016 H37 0.0900 0.4400 0.2715 0.0739 0.4258 0.2642 H38 0.4700 0.4400 0.2285 0.5004 0.4258 0.2358 H39 0.9100 0.5600 0.7285 -0.0739 0.5742 0.7358 H40 0.5300 0.5600 0.7715 0.4996 0.5742 0.7642 O37 0.9180 0.8810 0.1793 0.9127 0.8836 0.1790 O38 0.2010 0.8810 0.3207 0.2037 0.8836 0.3210 O39 0.0820 0.1190 0.8207 0.0873 0.1164 0.8210 O40 0.7990 0.1190 0.6793 0.7963 0.1164 0.6790 H41 0.9930 0.6900 0.1627 0.0057 0.6561 0.1567 H42 0.3170 0.6900 0.3373 0.3383 0.6561 0.3433 H43 0.0070 0.3100 0.8373 -0.0057 0.3439 0.8433 H44 0.6830 0.3100 0.6627 0.6617 0.3439 0.6567 H45 0.8070 0.0660 0.1592 0.7878 0.1027 0.1543 H46 0.1270 0.0660 0.3408 0.1095 0.1027 0.3457 H47 0.1930 0.9340 0.8408 0.2122 0.8973 0.8457 H48 0.8730 0.9340 0.6592 0.8905 0.8973 0.6543 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 -0.0064 0.0129 0.0000 -0.0000 0.0463 -0.0000 maximum gradient = 0.0463 Mg4 0.0064 -0.0129 0.0000 0.0000 -0.0463 -0.0000 S1 0.0008 -0.0021 -0.0017 0.0033 -0.0076 -0.0398 S2 0.0013 -0.0021 0.0017 -0.0033 -0.0076 0.0398 S3 -0.0008 0.0021 0.0017 -0.0033 0.0076 0.0398 S4 -0.0013 0.0021 -0.0017 0.0033 0.0076 -0.0398 O1 0.0054 -0.0073 -0.0007 0.0205 -0.0261 -0.0169 O2 0.0018 -0.0073 0.0007 -0.0205 -0.0261 0.0169 O3 -0.0054 0.0073 0.0007 -0.0205 0.0261 0.0169 O4 -0.0018 0.0073 -0.0007 0.0205 0.0261 -0.0169 O5 0.0029 -0.0014 0.0009 0.0188 -0.0052 0.0211 O6 -0.0015 -0.0014 -0.0009 -0.0188 -0.0052 -0.0211 O7 -0.0029 0.0014 -0.0009 -0.0188 0.0052 -0.0211 O8 0.0015 0.0014 0.0009 0.0188 0.0052 0.0211 O9 -0.0041 0.0093 0.0003 0.0046 0.0335 0.0073 O10 -0.0052 0.0093 -0.0003 -0.0046 0.0335 -0.0073 O11 0.0041 -0.0093 -0.0003 -0.0046 -0.0335 -0.0073 O12 0.0052 -0.0093 0.0003 0.0046 -0.0335 0.0073 O13 -0.0040 0.0049 0.0007 -0.0184 0.0176 0.0173 O14 -0.0009 0.0049 -0.0007 0.0184 0.0176 -0.0173 O15 0.0040 -0.0049 -0.0007 0.0184 -0.0176 -0.0173 O16 0.0009 -0.0049 0.0007 -0.0184 -0.0176 0.0173 O17 0.0003 0.0021 -0.0002 0.0135 0.0074 -0.0038 O18 -0.0023 0.0021 0.0002 -0.0135 0.0074 0.0038 O19 -0.0003 -0.0021 0.0002 -0.0135 -0.0074 0.0038 O20 0.0023 -0.0021 -0.0002 0.0135 -0.0074 -0.0038 H1 0.0052 -0.0086 -0.0001 0.0097 -0.0307 -0.0033 H2 0.0034 -0.0086 0.0001 -0.0097 -0.0307 0.0033 H3 -0.0052 0.0086 0.0001 -0.0097 0.0307 0.0033 H4 -0.0034 0.0086 -0.0001 0.0097 0.0307 -0.0033 H5 -0.0022 -0.0006 -0.0012 -0.0203 -0.0021 -0.0292 H6 0.0028 -0.0006 0.0012 0.0203 -0.0021 0.0292 H7 0.0022 0.0006 0.0012 0.0203 0.0021 0.0292 H8 -0.0028 0.0006 -0.0012 -0.0203 0.0021 -0.0292 O21 -0.0018 0.0006 0.0009 -0.0189 0.0020 0.0219 O22 0.0013 0.0006 -0.0009 0.0189 0.0020 -0.0219 O23 0.0018 -0.0006 -0.0009 0.0189 -0.0020 -0.0219 O24 -0.0013 -0.0006 0.0009 -0.0189 -0.0020 0.0219 H9 -0.0013 -0.0029 -0.0008 -0.0248 -0.0104 -0.0192 H10 0.0042 -0.0029 0.0008 0.0248 -0.0104 0.0192 H11 0.0013 0.0029 0.0008 0.0248 0.0104 0.0192 H12 -0.0042 0.0029 -0.0008 -0.0248 0.0104 -0.0192 H13 -0.0051 0.0090 0.0000 -0.0061 0.0325 0.0002 H14 -0.0039 0.0090 -0.0000 0.0061 0.0325 -0.0002 H15 0.0051 -0.0090 -0.0000 0.0061 -0.0325 -0.0002 H16 0.0039 -0.0090 0.0000 -0.0061 -0.0325 0.0002 O25 0.0018 -0.0055 0.0007 -0.0117 -0.0196 0.0160 O26 0.0036 -0.0055 -0.0007 0.0117 -0.0196 -0.0160 O27 -0.0018 0.0055 -0.0007 0.0117 0.0196 -0.0160 O28 -0.0036 0.0055 0.0007 -0.0117 0.0196 0.0160 H17 -0.0021 0.0040 -0.0008 0.0023 0.0144 -0.0186 H18 -0.0019 0.0040 0.0008 -0.0023 0.0144 0.0186 H19 0.0021 -0.0040 0.0008 -0.0023 -0.0144 0.0186 H20 0.0019 -0.0040 -0.0008 0.0023 -0.0144 -0.0186 H21 -0.0016 0.0053 -0.0005 0.0123 0.0189 -0.0112 H22 -0.0037 0.0053 0.0005 -0.0123 0.0189 0.0112 H23 0.0016 -0.0053 0.0005 -0.0123 -0.0189 0.0112 H24 0.0037 -0.0053 -0.0005 0.0123 -0.0189 -0.0112 O29 0.0030 -0.0042 -0.0001 0.0090 -0.0150 -0.0022 O30 0.0012 -0.0042 0.0001 -0.0090 -0.0150 0.0022 O31 -0.0030 0.0042 0.0001 -0.0090 0.0150 0.0022 O32 -0.0012 0.0042 -0.0001 0.0090 0.0150 -0.0022 H25 0.0031 -0.0091 0.0004 -0.0163 -0.0326 0.0105 H26 0.0060 -0.0091 -0.0004 0.0163 -0.0326 -0.0105 H27 -0.0031 0.0091 -0.0004 0.0163 0.0326 -0.0105 H28 -0.0060 0.0091 0.0004 -0.0163 0.0326 0.0105 H29 0.0017 0.0034 -0.0002 0.0345 0.0123 -0.0053 H30 -0.0051 0.0034 0.0002 -0.0345 0.0123 0.0053 H31 -0.0017 -0.0034 0.0002 -0.0345 -0.0123 0.0053 H32 0.0051 -0.0034 -0.0002 0.0345 -0.0123 -0.0053 O33 -0.0030 0.0053 -0.0009 -0.0001 0.0191 -0.0208 O34 -0.0023 0.0053 0.0009 0.0001 0.0191 0.0208 O35 0.0030 -0.0053 0.0009 0.0001 -0.0191 0.0208 O36 0.0023 -0.0053 -0.0009 -0.0001 -0.0191 -0.0208 H33 -0.0021 -0.0023 -0.0007 -0.0297 -0.0082 -0.0167 H34 0.0044 -0.0023 0.0007 0.0297 -0.0082 0.0167 H35 0.0021 0.0023 0.0007 0.0297 0.0082 0.0167 H36 -0.0044 0.0023 -0.0007 -0.0297 0.0082 -0.0167 H37 0.0010 -0.0013 -0.0002 0.0046 -0.0047 -0.0046 H38 0.0003 -0.0013 0.0002 -0.0046 -0.0047 0.0046 H39 -0.0010 0.0013 0.0002 -0.0046 0.0047 0.0046 H40 -0.0003 0.0013 -0.0002 0.0046 0.0047 -0.0046 O37 0.0037 -0.0025 -0.0002 0.0254 -0.0092 -0.0056 O38 -0.0012 -0.0025 0.0002 -0.0254 -0.0092 0.0056 O39 -0.0037 0.0025 0.0002 -0.0254 0.0092 0.0056 O40 0.0012 0.0025 -0.0002 0.0254 0.0092 -0.0056 H41 -0.0008 0.0025 -0.0001 0.0046 0.0090 -0.0022 H42 -0.0017 0.0025 0.0001 -0.0046 0.0090 0.0022 H43 0.0008 -0.0025 0.0001 -0.0046 -0.0090 0.0022 H44 0.0017 -0.0025 -0.0001 0.0046 -0.0090 -0.0022 H45 0.0030 -0.0032 0.0011 0.0097 -0.0116 0.0272 H46 0.0002 -0.0032 -0.0011 -0.0097 -0.0116 -0.0272 H47 -0.0030 0.0032 -0.0011 -0.0097 0.0116 -0.0272 H48 -0.0002 0.0032 0.0011 0.0097 0.0116 0.0272 Atomic partial charges (electron charges): Atom s p d total ----- -------- -------- -------- -------- Mg1 0.270 0.419 0.276 0.965 Mg2 0.270 0.419 0.276 0.965 Mg3 0.265 0.406 0.262 0.933 Mg4 0.265 0.406 0.262 0.933 S1 1.052 1.900 0.806 3.758 S2 1.052 1.900 0.806 3.758 S3 1.052 1.900 0.806 3.758 S4 1.052 1.900 0.806 3.758 O1 1.265 2.902 0.015 4.182 O2 1.265 2.902 0.015 4.182 O3 1.265 2.902 0.015 4.182 O4 1.265 2.902 0.015 4.182 O5 1.266 2.906 0.016 4.189 O6 1.266 2.906 0.016 4.189 O7 1.266 2.906 0.016 4.189 O8 1.266 2.906 0.016 4.189 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 2.988 0.012 4.234 O18 1.234 2.988 0.012 4.234 O19 1.234 2.988 0.012 4.234 O20 1.234 2.988 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 1.234 2.987 0.012 4.234 O22 1.234 2.987 0.012 4.234 O23 1.234 2.987 0.012 4.234 O24 1.234 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 0.149 0.006 0.000 0.156 H14 0.149 0.006 0.000 0.156 H15 0.149 0.006 0.000 0.156 H16 0.149 0.006 0.000 0.156 O25 1.231 2.993 0.012 4.235 O26 1.231 2.993 0.012 4.235 O27 1.231 2.993 0.012 4.235 O28 1.231 2.993 0.012 4.235 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 2.977 0.012 4.226 O30 1.236 2.977 0.012 4.226 O31 1.236 2.977 0.012 4.226 O32 1.236 2.977 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 0.151 H30 0.144 0.006 0.000 0.151 H31 0.144 0.006 0.000 0.151 H32 0.144 0.006 0.000 0.151 O33 1.231 2.991 0.012 4.233 O34 1.231 2.991 0.012 4.233 O35 1.231 2.991 0.012 4.233 O36 1.231 2.991 0.012 4.233 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 2.991 0.012 4.234 O38 1.231 2.991 0.012 4.234 O39 1.231 2.991 0.012 4.234 O40 1.231 2.991 0.012 4.234 H41 0.149 0.006 0.000 0.155 H42 0.149 0.006 0.000 0.155 H43 0.149 0.006 0.000 0.155 H44 0.149 0.006 0.000 0.155 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 5.355 eV. The valence band (#160) maximum is located near (0.33 0.00 0.00), at -0.224 eV with respect to the Fermi level. The conduction band (#161) minimum is located near (0.00 0.00 0.00), at 5.132 eV with respect to the Fermi level. The center of the gap is located at 2.454079 eV with respect to the Fermi level. The Fermi energy is used as the zero of the energy scale. Job completed on Thu 16 March 2023 at 05:32:15 CST after 46805 s (13:00:05) Entire job completed on Thu 16 March 2023 at 05:32:15 CST after 46805 s (13:00:05) and running 1 tasks.