ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7495 f3b2605a-c512-4ea7-a41b-209d697bcdaa

Browse Source
This commit is contained in:
sjplimp
2012-01-10 01:39:21 +00:00
parent c414186e35
commit 9a3ab257bd
98 changed files with 8 additions and 28545 deletions
Download Patch File Download Diff File Expand all files Collapse all files

7530
examples/tad/log.tad.0.28Mar11.linux.3
View File

File diff suppressed because it is too large Load Diff

2868
examples/tad/log.tad.1.28Mar11.linux.3
View File

File diff suppressed because it is too large Load Diff

2868
examples/tad/log.tad.2.28Mar11.linux.3
View File

File diff suppressed because it is too large Load Diff

39
examples/tad/log.tad.28Mar11.linux.3
View File

@ -1,39 +0,0 @@
LAMMPS (27 Mar 2011)
Running on 3 partitions of processors
Step CPU N M Status Barrier Margin t_lo delt_lo
1000 0.000 0 0 E 0.000 0.000 0.000 0.000
1150 1.543 0 0 DF 2.957 0.000 0.000 17626.816
1550 4.348 0 1 DF 0.510 0.049 0.000 1251.448
1950 7.461 0 2 D 2.971 0.610 0.000 114049.225
2350 10.432 0 3 D 0.510 0.867 0.000 3071.754
2800 13.868 0 4 D 2.971 1.156 0.000 216085.667
1550 13.868 1 1 E 0.510 0.000 1251.448 1251.448
1650 14.838 1 0 DF 0.510 0.000 1251.448 227.532
1750 15.811 1 1 D 0.510 0.461 1251.448 455.047
1850 16.807 1 2 D 0.510 0.692 1251.448 682.596
1950 17.784 1 3 D 0.510 0.923 1251.448 910.144
2050 18.781 1 4 D 0.510 1.154 1251.448 1137.675
1650 18.781 2 0 E 0.510 0.000 1478.980 227.532
1850 20.399 2 0 DF 0.510 0.000 1478.980 455.054
2050 22.028 2 1 D 0.510 0.549 1478.980 910.140
2250 23.656 2 2 D 0.510 0.823 1478.980 1365.169
2450 25.304 2 3 D 0.510 1.098 1478.980 1820.232
1850 25.304 3 0 E 0.510 0.000 1934.033 455.054
1950 26.326 3 0 DF 0.510 0.000 1934.033 227.541
2050 27.381 3 1 D 0.510 0.461 1934.033 455.092
2150 28.410 3 2 D 0.510 0.692 1934.033 682.654
2250 29.439 3 3 D 0.510 0.923 1934.033 910.147
2350 30.618 3 4 D 0.510 1.154 1934.033 1137.725
1950 30.618 4 0 E 0.510 0.000 2161.574 227.541
2100 32.278 4 0 DF 2.518 0.000 2161.574 8681.348
2250 33.632 4 1 DF 0.510 0.045 2161.574 682.611
2400 35.322 4 2 D 2.518 0.455 2161.574 26042.889
2550 36.694 4 3 D 0.510 0.607 2161.574 1365.321
2700 38.417 4 4 D 2.518 0.759 2161.574 43403.531
2850 39.797 4 5 D 0.510 0.911 2161.574 2047.918
3000 41.603 4 6 D 2.518 1.063 2161.574 60770.044
2250 41.603 5 1 E 0.510 0.000 2844.185 682.611
2450 43.345 5 0 DF 0.510 0.000 2844.185 455.071
2700 45.402 5 1 D 0.510 0.617 2844.185 1023.952
2950 47.493 5 2 D 0.510 0.960 2844.185 1592.756
Loop time of 47.7979 on 3 procs for 2000 steps with 511 atoms

487
examples/tad/log.tad.neb.28Mar11.linux.3
View File

@ -1,487 +0,0 @@
Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
1150 11.6554 6.62337 0.377272 0.761559 11.8694 5.1085 2.15591 2.72809 0 -2213.28 0.5 -2208.17 1 -2210.33
1170 11.6512 6.62037 0.377248 0.761453 11.8653 5.10773 2.15515 2.72809 0 -2213.28 0.5 -2208.17 1 -2210.33
1190 11.5433 6.54347 0.376636 0.758709 11.7601 5.08807 2.13555 2.7281 0 -2213.28 0.499996 -2208.19 1 -2210.33
1210 9.72273 5.2217 0.36548 0.70781 9.99449 4.75847 1.8071 2.72903 0 -2213.28 0.499949 -2208.52 1 -2210.33
1230 4.03625 1.89401 0.285681 0.33788 4.64048 3.01397 0.0693848 2.84058 0 -2213.29 0.503837 -2210.27 1 -2210.34
1250 2.91187 0.632304 0.149015 0.285227 0.285227 2.95113 0 4.16068 0 -2213.32 0.483278 -2212.44 1 -2210.37
1270 2.21864 0.412087 0.0735697 0.213012 0.213012 2.9596 0 5.43034 0 -2213.34 0.415854 -2210.57 1 -2210.38
1290 1.26025 0.240655 0.0851694 0.274204 0.274204 2.95838 0 4.65566 0 -2213.34 0.426179 -2212.71 1 -2210.38
1310 1.19063 0.562065 0.178273 1.12853 1.12853 2.97311 0 3.93499 0 -2213.34 0.442578 -2213.23 1 -2210.36
1330 0.895322 0.472645 0.0176755 0.895322 0.895322 2.96769 0 3.68571 0 -2213.34 0.470276 -2213.3 1 -2210.37
1350 0.335826 0.115869 0.00293675 0.223978 0.223978 2.95803 0 3.61669 0 -2213.34 0.479093 -2213.29 1 -2210.38
Climbing replica = 3
Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
1350 0.335826 0.115869 0.00293675 0.223978 0.223978 2.95803 0 3.61669 0 -2213.34 0.479093 -2213.29 1 -2210.38
1370 0.335823 0.115843 0.00293641 0.223928 0.223928 2.95803 0 3.61669 0 -2213.34 0.479093 -2213.29 1 -2210.38
1390 0.335758 0.115176 0.00292783 0.222641 0.222641 2.95802 0 3.61669 0 -2213.34 0.479095 -2213.29 1 -2210.38
1410 0.334544 0.102935 0.0027735 0.199029 0.199029 2.9579 0 3.61655 0 -2213.34 0.479146 -2213.29 1 -2210.38
1430 0.315628 0.0285281 0.00192657 0.0510591 0.0510591 2.95743 0 3.61286 0 -2213.34 0.480234 -2213.29 1 -2210.38
1450 0.119947 0.0618074 0.00138469 0.119947 0.119947 2.95758 0 3.56152 0 -2213.34 0.49978 -2213.23 1 -2210.38
1470 0.0579776 0.029747 0.000739585 0.0579776 0.0579776 2.95744 0 3.56502 0 -2213.34 0.503437 -2213.22 1 -2210.38
1490 0.0278376 0.0143442 0.000335725 0.0278376 0.0278376 2.9574 0 3.571 0 -2213.34 0.501089 -2213.24 1 -2210.38
1510 0.00809973 0.00339832 0.000224324 0.00662292 0.00662292 2.95739 0 3.57185 0 -2213.34 0.500243 -2213.24 1 -2210.38
Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
1550 0.997487 0.231841 0.377272 0.469509 0.99882 0.492541 0.448998 1.93124 0 -2213.28 0.5 -2212.79 1 -2213.24
1570 0.99736 0.231816 0.377248 0.469487 0.998693 0.492536 0.448994 1.93124 0 -2213.28 0.5 -2212.79 1 -2213.24
1590 0.994079 0.231185 0.376636 0.468915 0.995416 0.492412 0.448881 1.93121 0 -2213.28 0.499998 -2212.79 1 -2213.24
1610 0.933531 0.219448 0.365631 0.4586 0.93495 0.490188 0.446871 1.93068 0 -2213.28 0.499962 -2212.79 1 -2213.24
1630 0.375577 0.0561858 0.287182 0.375577 0.308748 0.474594 0.435012 1.92179 0 -2213.29 0.499365 -2212.81 1 -2213.25
1650 0.305843 0.0564951 0.146318 0.173362 0.305756 0.502736 0.494561 1.78494 0 -2213.33 0.504227 -2212.82 1 -2213.32
1670 0.0660515 0.0139069 0.0286019 0.0581794 0.0660189 0.510608 0.509844 1.73932 0 -2213.34 0.503366 -2212.83 1 -2213.34
1690 0.0938827 0.00850809 0.0658485 0.0871284 0.0939675 0.510236 0.510117 1.7431 0 -2213.34 0.498559 -2212.83 1 -2213.34
1710 0.015938 0.0015162 0.0106223 0.0153275 0.0159323 0.5101 0.510089 1.74154 0 -2213.34 0.500123 -2212.83 1 -2213.34
1716 0.00937149 0.00102351 0.00622571 0.00806101 0.00937371 0.510095 0.510091 1.74152 0 -2213.34 0.500405 -2212.83 1 -2213.34
Climbing replica = 2
Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
1716 0.00937371 0.00102355 0.00622571 0.00806101 0.00937371 0.510095 0.510091 1.74152 0 -2213.34 0.500405 -2212.83 1 -2213.34
1717 0.00937371 0.00102355 0.00622571 0.00806101 0.00937371 0.510095 0.510091 1.74152 0 -2213.34 0.500405 -2212.83 1 -2213.34
Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
1950 9.66579 5.33469 0.377272 0.420868 10.0934 3.90418 0.943966 2.04888 0 -2213.28 0.5 -2209.38 1 -2210.32
1970 9.66276 5.33259 0.377248 0.420812 10.0906 3.90365 0.943439 2.04888 0 -2213.28 0.5 -2209.38 1 -2210.32
1990 9.58501 5.27857 0.376636 0.419364 10.018 3.89012 0.929915 2.04885 0 -2213.28 0.500002 -2209.39 1 -2210.32
2010 8.24737 4.3339 0.365508 0.392952 8.78496 3.65982 0.699697 2.0491 0 -2213.28 0.500082 -2209.62 1 -2210.32
2030 2.90751 1.32314 0.285411 0.255973 0.255973 2.96135 0 2.151 0 -2213.29 0.509189 -2210.93 1 -2210.33
2050 1.8118 0.323286 0.191894 0.184345 0.184345 2.96791 0 2.47639 0 -2213.32 0.426354 -2212.42 1 -2210.35
2070 0.91671 0.235455 0.122249 0.130442 0.130442 2.96954 0 2.24338 0 -2213.33 0.419591 -2212.14 1 -2210.36
2090 0.396851 0.21211 0.0812484 0.0752039 0.0752039 2.97033 0 2.23813 0 -2213.33 0.478539 -2211.6 1 -2210.36
2110 0.179174 0.0738539 0.0513511 0.0489922 0.0489922 2.97062 0 2.23658 0 -2213.34 0.493184 -2211.44 1 -2210.36
2130 0.205743 0.112934 0.033966 0.0336078 0.0336078 2.97071 0 2.24428 0 -2213.34 0.497571 -2211.38 1 -2210.37
2150 0.127962 0.0713942 0.0163296 0.0176185 0.0176185 2.9707 0 2.24796 0 -2213.34 0.498358 -2211.34 1 -2210.37
Climbing replica = 3
Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
2150 0.127962 0.0713942 0.0163296 0.0176185 0.0176185 2.9707 0 2.24796 0 -2213.34 0.498358 -2211.34 1 -2210.37
2170 0.127931 0.0713768 0.0163295 0.0176184 0.0176184 2.9707 0 2.24796 0 -2213.34 0.498358 -2211.34 1 -2210.37
2190 0.127142 0.0709263 0.0163276 0.0176159 0.0176159 2.9707 0 2.24796 0 -2213.34 0.498359 -2211.34 1 -2210.37
2210 0.112633 0.0626267 0.0162914 0.0175702 0.0175702 2.9707 0 2.248 0 -2213.34 0.498367 -2211.34 1 -2210.37
2230 0.0489489 0.0243788 0.015609 0.0168856 0.0168856 2.97069 0 2.24866 0 -2213.34 0.498505 -2211.34 1 -2210.37
2250 0.0128754 0.00397205 0.00914949 0.0105864 0.0105864 2.97067 0 2.25308 0 -2213.34 0.49915 -2211.32 1 -2210.37
2263 0.00946178 0.00261171 0.00794995 0.00939525 0.00939525 2.97066 0 2.25378 0 -2213.34 0.499217 -2211.32 1 -2210.37
Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
2350 1.04323 0.23682 0.377272 0.528633 1.04504 0.499935 0.543083 1.80325 0 -2213.28 0.5 -2212.78 1 -2213.32
2370 1.0431 0.236795 0.377248 0.528564 1.0449 0.49993 0.543078 1.80325 0 -2213.28 0.5 -2212.78 1 -2213.32
2390 1.03964 0.236164 0.376636 0.52677 1.04145 0.499792 0.542961 1.80322 0 -2213.28 0.500003 -2212.78 1 -2213.32
2410 0.975729 0.224408 0.365622 0.493823 0.977684 0.497323 0.54084 1.80267 0 -2213.28 0.500052 -2212.78 1 -2213.32
2430 0.313898 0.0651164 0.286579 0.21056 0.31975 0.479891 0.523927 1.79411 0 -2213.29 0.500889 -2212.81 1 -2213.33
2450 0.368714 0.0658953 0.143978 0.147406 0.368888 0.504843 0.515405 1.74252 0 -2213.33 0.49593 -2212.82 1 -2213.34
2470 0.0774982 0.0147639 0.0415413 0.0480402 0.0811687 0.509946 0.510594 1.74615 0 -2213.34 0.492687 -2212.83 1 -2213.34
2490 0.0296877 0.00551982 0.0272649 0.0138884 0.0320966 0.509846 0.510355 1.74093 0 -2213.34 0.497743 -2212.83 1 -2213.34
2510 0.0222406 0.00287926 0.0222406 0.00802056 0.0205251 0.509891 0.510271 1.74079 0 -2213.34 0.498679 -2212.83 1 -2213.34
2527 0.00967123 0.00197849 0.00613088 0.00481446 0.010164 0.510098 0.510109 1.74091 0 -2213.34 0.50088 -2212.83 1 -2213.34
Climbing replica = 2
Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
2527 0.010164 0.00221896 0.00613088 0.00481446 0.010164 0.510098 0.510109 1.74091 0 -2213.34 0.50088 -2212.83 1 -2213.34
2547 0.0101634 0.00221894 0.00613027 0.00481407 0.0101634 0.510098 0.510109 1.74091 0 -2213.34 0.50088 -2212.83 1 -2213.34
2567 0.010149 0.0022186 0.00611473 0.00480409 0.010149 0.510098 0.510109 1.74091 0 -2213.34 0.50088 -2212.83 1 -2213.34
2584 0.00999437 0.00221473 0.00594804 0.00469678 0.00999437 0.510098 0.510109 1.74091 0 -2213.34 0.500875 -2212.83 1 -2213.34
Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
2800 11.0399 6.46908 0.377272 0.825083 11.3892 4.43199 1.43082 2.15148 0 -2213.28 0.5 -2208.85 1 -2210.28
2820 11.0359 6.46633 0.377248 0.825009 11.3854 4.4313 1.43014 2.15148 0 -2213.28 0.5 -2208.85 1 -2210.28
2840 10.9344 6.39578 0.376636 0.823086 11.2884 4.41366 1.41258 2.15145 0 -2213.28 0.500002 -2208.87 1 -2210.28
2860 9.20859 5.17667 0.365481 0.787236 9.65277 4.11769 1.11805 2.15179 0 -2213.28 0.500088 -2209.16 1 -2210.28
2880 3.20288 1.49713 0.285234 0.393643 0.393643 2.98421 0 2.26254 0 -2213.29 0.50896 -2210.65 1 -2210.3
2900 3.40331 1.53436 0.159731 0.294584 0.294584 2.97084 0 2.56277 0 -2213.32 0.408982 -2212.36 1 -2210.35
2920 1.19524 0.681719 0.121667 0.117788 0.117788 2.96965 0 2.39729 0 -2213.33 0.400443 -2212.36 1 -2210.36
2940 0.609388 0.284608 0.0615082 0.0601282 0.0601282 2.97048 0 2.27611 0 -2213.33 0.505136 -2211.21 1 -2210.36
2960 0.066563 0.0218099 0.0492357 0.0480547 0.0480547 2.97057 0 2.27859 0 -2213.34 0.50329 -2211.25 1 -2210.36
2980 0.0458954 0.0127066 0.0441669 0.0427633 0.0427633 2.9706 0 2.27959 0 -2213.34 0.502755 -2211.26 1 -2210.37
3000 0.0851206 0.0426169 0.0128535 0.0135736 0.0135736 2.97065 0 2.2672 0 -2213.34 0.498179 -2211.3 1 -2210.37
Climbing replica = 3
Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
3000 0.0851206 0.0426169 0.0128535 0.0135736 0.0135736 2.97065 0 2.2672 0 -2213.34 0.498179 -2211.3 1 -2210.37
3020 0.0851005 0.042605 0.0128535 0.0135736 0.0135736 2.97065 0 2.2672 0 -2213.34 0.498179 -2211.3 1 -2210.37
3040 0.0845841 0.0422986 0.0128524 0.0135723 0.0135723 2.97065 0 2.2672 0 -2213.34 0.498179 -2211.3 1 -2210.37
3060 0.0751118 0.0366524 0.0128306 0.0135485 0.0135485 2.97065 0 2.26719 0 -2213.34 0.498188 -2211.3 1 -2210.37
3080 0.0377055 0.022783 0.0123463 0.0130421 0.0130421 2.97065 0 2.26701 0 -2213.34 0.49843 -2211.3 1 -2210.37
3100 0.0333719 0.0194216 0.0069713 0.00762863 0.00762863 2.97064 0 2.26555 0 -2213.34 0.500451 -2211.28 1 -2210.37
3105 0.00924307 0.00347619 0.00683845 0.00748907 0.00748907 2.97064 0 2.26545 0 -2213.34 0.50042 -2211.28 1 -2210.37
Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
1650 1.04323 0.254204 0.469509 0.437271 1.04342 0.490208 0.543327 1.79104 0 -2213.24 0.5 -2212.75 1 -2213.29
1670 1.04311 0.254178 0.469487 0.437252 1.04329 0.490203 0.543322 1.79104 0 -2213.24 0.5 -2212.75 1 -2213.29
1690 1.03988 0.253523 0.468915 0.436762 1.04007 0.490077 0.543191 1.79102 0 -2213.24 0.499996 -2212.75 1 -2213.29
1710 0.980544 0.241339 0.458605 0.427805 0.980738 0.487814 0.54085 1.79071 0 -2213.24 0.499931 -2212.75 1 -2213.29
1730 0.392925 0.070632 0.375934 0.32886 0.393102 0.471903 0.523603 1.78673 0 -2213.25 0.498691 -2212.77 1 -2213.3
1750 0.315643 0.0548588 0.173453 0.139362 0.316436 0.502085 0.514484 1.75517 0 -2213.32 0.491871 -2212.82 1 -2213.33
1770 0.0836219 0.0149353 0.0611587 0.0714119 0.0842677 0.510189 0.509993 1.7481 0 -2213.34 0.499239 -2212.83 1 -2213.34
1790 0.0820862 0.0110115 0.0345932 0.0354318 0.0821162 0.510122 0.510179 1.74275 0 -2213.34 0.499823 -2212.83 1 -2213.34
1810 0.0132645 0.00114201 0.0132645 0.0102348 0.0128348 0.510035 0.510101 1.74254 0 -2213.34 0.499933 -2212.83 1 -2213.34
1824 0.00661539 0.000714038 0.00607802 0.00494911 0.00666292 0.510083 0.510096 1.74236 0 -2213.34 0.499931 -2212.83 1 -2213.34
Climbing replica = 2
Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
1824 0.00666292 0.000699856 0.00607802 0.00494911 0.00666292 0.510083 0.510096 1.74236 0 -2213.34 0.499931 -2212.83 1 -2213.34
1825 0.00666292 0.000699856 0.00607802 0.00494911 0.00666292 0.510083 0.510096 1.74236 0 -2213.34 0.499931 -2212.83 1 -2213.34
Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
1750 1.04284 0.261627 0.469509 0.485909 1.04532 0.49243 0.559283 1.73642 0 -2213.24 0.5 -2212.74 1 -2213.3
1770 1.04272 0.261601 0.469487 0.485854 1.04519 0.492425 0.559278 1.73642 0 -2213.24 0.5 -2212.74 1 -2213.3
1790 1.03942 0.260948 0.468915 0.484436 1.0419 0.492299 0.559155 1.73643 0 -2213.24 0.500001 -2212.74 1 -2213.3
1810 0.978646 0.248805 0.458598 0.458528 0.981277 0.49004 0.556922 1.73655 0 -2213.24 0.500025 -2212.75 1 -2213.3
1830 0.382002 0.0766396 0.375475 0.249481 0.387441 0.474704 0.538515 1.74043 0 -2213.25 0.500349 -2212.77 1 -2213.31
1850 0.332152 0.0602748 0.173138 0.113594 0.333604 0.502554 0.517733 1.74541 0 -2213.32 0.49102 -2212.81 1 -2213.33
1870 0.0883173 0.0154087 0.0634502 0.0603986 0.0909643 0.510136 0.510641 1.74059 0 -2213.34 0.493269 -2212.83 1 -2213.34
1890 0.0854635 0.00968635 0.0418161 0.0645812 0.0853611 0.510085 0.510227 1.74431 0 -2213.34 0.502231 -2212.83 1 -2213.34
1910 0.0158716 0.00165467 0.0158716 0.0113115 0.0156279 0.510017 0.510146 1.74172 0 -2213.34 0.500515 -2212.83 1 -2213.34
1929 0.00928034 0.000637617 0.00928034 0.00530168 0.00725899 0.510061 0.510114 1.74187 0 -2213.34 0.500047 -2212.83 1 -2213.34
Climbing replica = 2
Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
1929 0.00928034 0.000637617 0.00928034 0.00530168 0.00725899 0.510061 0.510114 1.74187 0 -2213.34 0.500047 -2212.83 1 -2213.34
1930 0.00928034 0.000637617 0.00928034 0.00530168 0.00725899 0.510061 0.510114 1.74187 0 -2213.34 0.500047 -2212.83 1 -2213.34
Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
1850 1.03888 0.258546 0.469509 0.34231 1.03913 0.495895 0.551699 1.77757 0 -2213.24 0.5 -2212.74 1 -2213.29
1870 1.03876 0.25852 0.469487 0.342283 1.039 0.49589 0.551694 1.77757 0 -2213.24 0.5 -2212.74 1 -2213.29
1890 1.03554 0.25786 0.468915 0.341573 1.03578 0.495765 0.551554 1.77756 0 -2213.24 0.499996 -2212.74 1 -2213.29
1910 0.976161 0.245586 0.458601 0.328746 0.976408 0.493526 0.549031 1.77731 0 -2213.24 0.499932 -2212.74 1 -2213.29
1930 0.388696 0.0721148 0.375688 0.23815 0.388876 0.477929 0.528255 1.77449 0 -2213.25 0.498708 -2212.77 1 -2213.3
1950 0.322139 0.0547331 0.17394 0.122024 0.323173 0.503617 0.513746 1.75128 0 -2213.32 0.492611 -2212.81 1 -2213.33
1970 0.0792069 0.0148936 0.0609789 0.0296465 0.0799153 0.510045 0.510968 1.74857 0 -2213.34 0.498945 -2212.83 1 -2213.34
1990 0.0717325 0.00922189 0.0353019 0.0333551 0.0717505 0.510086 0.510214 1.74291 0 -2213.34 0.499919 -2212.83 1 -2213.34
2010 0.0146049 0.00128062 0.0146049 0.0109095 0.0138486 0.510037 0.51011 1.74269 0 -2213.34 0.499985 -2212.83 1 -2213.34
2024 0.00730227 0.000749331 0.00671943 0.00537878 0.00732762 0.510084 0.510097 1.74226 0 -2213.34 0.499943 -2212.83 1 -2213.34
Climbing replica = 2
Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
2024 0.00732762 0.000749331 0.00671943 0.00537878 0.00732762 0.510084 0.510097 1.74226 0 -2213.34 0.499943 -2212.83 1 -2213.34
2025 0.00732762 0.000749331 0.00671943 0.00537878 0.00732762 0.510084 0.510097 1.74226 0 -2213.34 0.499943 -2212.83 1 -2213.34
Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
1950 1.04658 0.272824 0.469509 0.501521 1.04685 0.535735 0.52145 1.72854 0 -2213.24 0.5 -2212.7 1 -2213.22
1970 1.04646 0.272798 0.469487 0.501492 1.04673 0.53573 0.521445 1.72854 0 -2213.24 0.5 -2212.7 1 -2213.22
1990 1.04341 0.272125 0.468915 0.500734 1.04368 0.535603 0.521323 1.72855 0 -2213.24 0.500005 -2212.7 1 -2213.22
2010 0.98738 0.25963 0.458607 0.487117 0.987669 0.533314 0.519115 1.72872 0 -2213.24 0.5001 -2212.7 1 -2213.22
2030 0.453268 0.0837992 0.376219 0.392432 0.453877 0.515452 0.502012 1.73336 0 -2213.25 0.501724 -2212.73 1 -2213.23
2050 0.317313 0.0492381 0.174992 0.194783 0.317325 0.511265 0.50793 1.74612 0 -2213.32 0.501603 -2212.81 1 -2213.31
2070 0.0794155 0.0136423 0.0560461 0.0372835 0.0792902 0.510298 0.510738 1.74044 0 -2213.34 0.498539 -2212.83 1 -2213.34
2090 0.0603955 0.00875978 0.0307324 0.0251612 0.0604301 0.510148 0.510161 1.74443 0 -2213.34 0.501497 -2212.83 1 -2213.34
2110 0.0134192 0.00108978 0.0134192 0.0121379 0.0134935 0.510092 0.510091 1.74198 0 -2213.34 0.500189 -2212.83 1 -2213.34
2124 0.00710228 0.000711432 0.00548597 0.00561915 0.00709725 0.510095 0.510094 1.74207 0 -2213.34 0.499852 -2212.83 1 -2213.34
Climbing replica = 2
Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
2124 0.00709725 0.000711227 0.00548597 0.00561915 0.00709725 0.510095 0.510094 1.74207 0 -2213.34 0.499852 -2212.83 1 -2213.34
2125 0.00709725 0.000711227 0.00548597 0.00561915 0.00709725 0.510095 0.510094 1.74207 0 -2213.34 0.499852 -2212.83 1 -2213.34
Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
2050 1.0445 0.255151 0.469509 0.444116 1.04494 0.489093 0.557769 1.78016 0 -2213.24 0.5 -2212.75 1 -2213.31
2070 1.04437 0.255126 0.469487 0.444059 1.04481 0.489088 0.557764 1.78016 0 -2213.24 0.5 -2212.75 1 -2213.31
2090 1.04107 0.254481 0.468915 0.442589 1.04151 0.488962 0.557634 1.78015 0 -2213.24 0.499996 -2212.75 1 -2213.31
2110 0.980321 0.242484 0.458597 0.415671 0.980779 0.486693 0.555286 1.7799 0 -2213.24 0.499922 -2212.75 1 -2213.31
2130 0.378293 0.0712051 0.375376 0.202584 0.378788 0.471274 0.535141 1.77699 0 -2213.25 0.498483 -2212.78 1 -2213.31
2150 0.331507 0.0578658 0.173556 0.13232 0.3327 0.501863 0.515313 1.75216 0 -2213.32 0.491098 -2212.82 1 -2213.33
2170 0.0730576 0.0143627 0.0586407 0.0185188 0.0739207 0.510181 0.511099 1.74861 0 -2213.34 0.49933 -2212.83 1 -2213.34
2190 0.0964106 0.00852229 0.0701176 0.0639029 0.0964171 0.510194 0.510292 1.74188 0 -2213.34 0.500303 -2212.83 1 -2213.34
2210 0.0156796 0.00150999 0.0117599 0.00904826 0.0156845 0.510093 0.510107 1.74203 0 -2213.34 0.500045 -2212.83 1 -2213.34
2216 0.00980696 0.000921796 0.00731057 0.00596568 0.00984731 0.510092 0.510099 1.74222 0 -2213.34 0.499971 -2212.83 1 -2213.34
Climbing replica = 2
Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
2216 0.00984731 0.000927893 0.00731057 0.00596568 0.00984731 0.510092 0.510099 1.74222 0 -2213.34 0.499971 -2212.83 1 -2213.34
2217 0.00984731 0.000927893 0.00731057 0.00596568 0.00984731 0.510092 0.510099 1.74222 0 -2213.34 0.499971 -2212.83 1 -2213.34
Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
1850 0.981907 0.210156 0.437271 0.33614 0.981976 0.505479 0.501303 1.81301 0 -2213.29 0.5 -2212.78 1 -2213.29
1870 0.981783 0.210134 0.437252 0.336119 0.981852 0.505475 0.501298 1.81301 0 -2213.29 0.5 -2212.78 1 -2213.29
1890 0.978592 0.209555 0.436762 0.335588 0.978662 0.505362 0.501174 1.81299 0 -2213.29 0.499999 -2212.78 1 -2213.29
1910 0.919738 0.198795 0.427801 0.325992 0.919813 0.503353 0.498951 1.81277 0 -2213.29 0.499978 -2212.79 1 -2213.29
1930 0.327953 0.0558812 0.327953 0.257002 0.317156 0.490415 0.482494 1.81009 0 -2213.3 0.499645 -2212.81 1 -2213.29
1950 0.310691 0.0542981 0.141794 0.119776 0.310763 0.507763 0.504145 1.76178 0 -2213.33 0.5029 -2212.82 1 -2213.33
1970 0.0777893 0.0109954 0.0705257 0.0406362 0.0776658 0.509714 0.510614 1.74409 0 -2213.34 0.501699 -2212.83 1 -2213.34
1990 0.0369547 0.00452618 0.0297545 0.018503 0.0371449 0.509965 0.510031 1.74403 0 -2213.34 0.498928 -2212.83 1 -2213.34
2010 0.0305468 0.0028626 0.0172222 0.0129669 0.0306436 0.51004 0.510035 1.7419 0 -2213.34 0.499733 -2212.83 1 -2213.34
2020 0.00857419 0.000717184 0.00828505 0.00828103 0.00867555 0.51007 0.510056 1.74194 0 -2213.34 0.499873 -2212.83 1 -2213.34
Climbing replica = 2
Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
2020 0.00867555 0.000710864 0.00828505 0.00828103 0.00867555 0.51007 0.510056 1.74194 0 -2213.34 0.499873 -2212.83 1 -2213.34
2021 0.00867555 0.000710864 0.00828505 0.00828103 0.00867555 0.51007 0.510056 1.74194 0 -2213.34 0.499873 -2212.83 1 -2213.34
Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
2050 1.06816 0.23287 0.437271 0.689328 1.06817 0.533582 0.525644 1.74356 0 -2213.29 0.5 -2212.76 1 -2213.28
2070 1.06803 0.232844 0.437252 0.68926 1.06803 0.533576 0.525641 1.74356 0 -2213.29 0.5 -2212.76 1 -2213.28
2090 1.06462 0.232184 0.436762 0.687498 1.06463 0.533438 0.525544 1.74355 0 -2213.29 0.500001 -2212.76 1 -2213.28
2110 1.00183 0.219926 0.4278 0.654882 1.00184 0.530962 0.523809 1.74341 0 -2213.29 0.500027 -2212.76 1 -2213.28
2130 0.364028 0.0569251 0.327436 0.276671 0.364071 0.513543 0.510944 1.74296 0 -2213.3 0.500439 -2212.78 1 -2213.3
2150 0.336522 0.0521192 0.142419 0.243493 0.336573 0.513489 0.509791 1.7464 0 -2213.33 0.502275 -2212.82 1 -2213.33
2170 0.127261 0.0172089 0.0747287 0.0442807 0.127263 0.50992 0.511029 1.74436 0 -2213.34 0.499921 -2212.83 1 -2213.34
2190 0.073988 0.0103244 0.0524331 0.0255024 0.0739926 0.509878 0.510557 1.7438 0 -2213.34 0.499902 -2212.83 1 -2213.34
2210 0.0288354 0.00375284 0.0176777 0.00979293 0.0288466 0.510089 0.510124 1.74219 0 -2213.34 0.500035 -2212.83 1 -2213.34
2227 0.00937128 0.00083182 0.00937128 0.00700012 0.00886158 0.510092 0.510101 1.74205 0 -2213.34 0.500048 -2212.83 1 -2213.34
Climbing replica = 2
Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
2227 0.00937128 0.00085675 0.00937128 0.00700012 0.00886158 0.510092 0.510101 1.74205 0 -2213.34 0.500048 -2212.83 1 -2213.34
2228 0.00937128 0.00085675 0.00937128 0.00700012 0.00886158 0.510092 0.510101 1.74205 0 -2213.34 0.500048 -2212.83 1 -2213.34
Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
2250 1.04287 0.218919 0.437271 0.748959 1.04307 0.511728 0.479017 1.81624 0 -2213.29 0.5 -2212.78 1 -2213.26
2270 1.04275 0.218896 0.437252 0.748921 1.04294 0.511723 0.479014 1.81624 0 -2213.29 0.5 -2212.78 1 -2213.26
2290 1.03955 0.218315 0.436762 0.747947 1.03974 0.511592 0.478938 1.81622 0 -2213.29 0.500001 -2212.78 1 -2213.26
2310 0.980544 0.207525 0.427809 0.729822 0.98074 0.509254 0.477596 1.81586 0 -2213.29 0.50002 -2212.78 1 -2213.26
2330 0.461735 0.0615012 0.329122 0.461735 0.364978 0.492267 0.473499 1.81118 0 -2213.3 0.500313 -2212.81 1 -2213.28
2350 0.310395 0.0502434 0.147267 0.178366 0.31044 0.50813 0.503663 1.76363 0 -2213.33 0.50231 -2212.82 1 -2213.33
2370 0.0813051 0.0101348 0.0740651 0.0629995 0.0814367 0.509633 0.510567 1.74704 0 -2213.34 0.501225 -2212.83 1 -2213.34
2390 0.0410537 0.00446406 0.0321619 0.031961 0.0411064 0.509984 0.51002 1.74297 0 -2213.34 0.499673 -2212.83 1 -2213.34
2410 0.0350811 0.00326861 0.0184579 0.0169826 0.0351173 0.510052 0.510044 1.74189 0 -2213.34 0.499805 -2212.83 1 -2213.34
2420 0.00987454 0.00111504 0.00827041 0.00987454 0.00943558 0.510073 0.510058 1.74188 0 -2213.34 0.499913 -2212.83 1 -2213.34
Climbing replica = 2
Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
2420 0.00987454 0.00111504 0.00827041 0.00987454 0.00943558 0.510073 0.510058 1.74188 0 -2213.34 0.499913 -2212.83 1 -2213.34
2421 0.00987454 0.00111504 0.00827041 0.00987454 0.00943558 0.510073 0.510058 1.74188 0 -2213.34 0.499913 -2212.83 1 -2213.34
Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
2450 0.994296 0.202592 0.437271 0.222772 0.994737 0.512259 0.5502 1.73928 0 -2213.29 0.5 -2212.78 1 -2213.33
2470 0.994171 0.20257 0.437252 0.222759 0.994613 0.512254 0.550195 1.73928 0 -2213.29 0.5 -2212.78 1 -2213.33
2490 0.990966 0.202006 0.436762 0.222431 0.991408 0.512138 0.550058 1.73927 0 -2213.29 0.499999 -2212.78 1 -2213.33
2510 0.931835 0.191528 0.4278 0.216371 0.932296 0.510064 0.547599 1.73916 0 -2213.29 0.499984 -2212.78 1 -2213.33
2530 0.327583 0.0522569 0.327583 0.141092 0.326228 0.496393 0.527785 1.7389 0 -2213.3 0.499684 -2212.8 1 -2213.33
2550 0.328018 0.055305 0.144909 0.0744174 0.328349 0.509583 0.514932 1.7459 0 -2213.33 0.496259 -2212.82 1 -2213.34
2570 0.11779 0.0151659 0.0758845 0.0313355 0.11805 0.509664 0.51102 1.74654 0 -2213.34 0.497947 -2212.83 1 -2213.34
2590 0.0712323 0.00962094 0.0540428 0.0194492 0.0714806 0.509719 0.510585 1.74487 0 -2213.34 0.498723 -2212.83 1 -2213.34
2610 0.0300608 0.0037913 0.0182772 0.00569048 0.0300424 0.510067 0.51015 1.74157 0 -2213.34 0.500369 -2212.83 1 -2213.34
2627 0.00946336 0.00078524 0.00946336 0.00285014 0.00771619 0.510076 0.510118 1.74178 0 -2213.34 0.500147 -2212.83 1 -2213.34
Climbing replica = 2
Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
2627 0.00946336 0.00078524 0.00946336 0.00285014 0.00771619 0.510076 0.510118 1.74178 0 -2213.34 0.500147 -2212.83 1 -2213.34
2628 0.00946336 0.00078524 0.00946336 0.00285014 0.00771619 0.510076 0.510118 1.74178 0 -2213.34 0.500147 -2212.83 1 -2213.34
Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
1950 0.997919 0.221204 0.33614 0.333397 0.998738 0.518465 0.540505 1.75275 0 -2213.29 0.5 -2212.77 1 -2213.31
1970 0.997795 0.221181 0.336119 0.333377 0.998615 0.51846 0.5405 1.75275 0 -2213.29 0.5 -2212.77 1 -2213.31
1990 0.994607 0.220571 0.335588 0.332855 0.995429 0.518332 0.540371 1.75275 0 -2213.29 0.500003 -2212.77 1 -2213.31
2010 0.935821 0.209238 0.325989 0.323372 0.936703 0.516022 0.538057 1.75269 0 -2213.29 0.500051 -2212.77 1 -2213.31
2030 0.348349 0.0576607 0.256932 0.240451 0.350796 0.498254 0.52012 1.75327 0 -2213.29 0.500922 -2212.79 1 -2213.31
2050 0.325858 0.0594428 0.121566 0.121106 0.325857 0.507736 0.51271 1.74437 0 -2213.33 0.49933 -2212.82 1 -2213.33
2070 0.0822712 0.0152207 0.0322371 0.0377336 0.0840189 0.511317 0.511303 1.74544 0 -2213.34 0.495622 -2212.83 1 -2213.34
2090 0.0267698 0.00373441 0.0125378 0.00975336 0.0268072 0.510208 0.510239 1.74664 0 -2213.34 0.500198 -2212.83 1 -2213.34
2110 0.0259636 0.00277018 0.0120379 0.0124437 0.0259851 0.510138 0.510155 1.74375 0 -2213.34 0.499888 -2212.83 1 -2213.34
2125 0.00966941 0.000778797 0.00454033 0.00513242 0.00966719 0.510107 0.510114 1.74328 0 -2213.34 0.500073 -2212.83 1 -2213.34
Climbing replica = 2
Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
2125 0.00966719 0.000852177 0.00454033 0.00513242 0.00966719 0.510107 0.510114 1.74328 0 -2213.34 0.500073 -2212.83 1 -2213.34
2126 0.00966719 0.000852177 0.00454033 0.00513242 0.00966719 0.510107 0.510114 1.74328 0 -2213.34 0.500073 -2212.83 1 -2213.34
Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
2050 1.0029 0.226947 0.33614 0.56781 1.00299 0.529868 0.523141 1.68202 0 -2213.29 0.5 -2212.76 1 -2213.28
2070 1.00278 0.226924 0.336119 0.567736 1.00287 0.529863 0.523137 1.68202 0 -2213.29 0.5 -2212.76 1 -2213.28
2090 0.99956 0.22634 0.335588 0.565841 0.999654 0.529733 0.523038 1.68204 0 -2213.29 0.499999 -2212.76 1 -2213.28
2110 0.940239 0.215468 0.325985 0.53125 0.94034 0.527397 0.521242 1.68236 0 -2213.29 0.499977 -2212.76 1 -2213.28
2130 0.352214 0.0621839 0.256843 0.290692 0.35263 0.509426 0.506624 1.69058 0 -2213.29 0.499469 -2212.78 1 -2213.29
2150 0.346483 0.0677538 0.126792 0.172126 0.347213 0.511196 0.511793 1.75095 0 -2213.33 0.493454 -2212.81 1 -2213.33
2170 0.0806858 0.0141501 0.0417583 0.0573244 0.0820847 0.511042 0.510767 1.75282 0 -2213.34 0.501133 -2212.83 1 -2213.34
2190 0.0780329 0.00817447 0.030645 0.0767452 0.0784496 0.510285 0.510238 1.74497 0 -2213.34 0.502213 -2212.83 1 -2213.34
2210 0.0188017 0.00191346 0.0131587 0.018631 0.0193436 0.510164 0.510183 1.7432 0 -2213.34 0.500727 -2212.83 1 -2213.34
2230 0.0250467 0.00196804 0.00823152 0.0250467 0.01857 0.510126 0.510129 1.74291 0 -2213.34 0.500079 -2212.83 1 -2213.34
2236 0.00951366 0.000827147 0.00771865 0.00735174 0.009567 0.510122 0.510132 1.74286 0 -2213.34 0.500074 -2212.83 1 -2213.34
Climbing replica = 2
Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
2236 0.009567 0.000935961 0.00771865 0.00735174 0.009567 0.510122 0.510132 1.74286 0 -2213.34 0.500074 -2212.83 1 -2213.34
2237 0.009567 0.000935961 0.00771865 0.00735174 0.009567 0.510122 0.510132 1.74286 0 -2213.34 0.500074 -2212.83 1 -2213.34
Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
2150 1.06394 0.242878 0.33614 0.745372 1.06394 0.532151 0.507541 1.73685 0 -2213.29 0.5 -2212.75 1 -2213.26
2170 1.0638 0.242852 0.336119 0.745266 1.0638 0.532146 0.507537 1.73685 0 -2213.29 0.5 -2212.75 1 -2213.26
2190 1.06023 0.242168 0.335588 0.742552 1.06023 0.531997 0.507453 1.73685 0 -2213.29 0.500003 -2212.75 1 -2213.26
2210 0.994362 0.229462 0.32598 0.692805 0.994362 0.529336 0.505937 1.73688 0 -2213.29 0.500053 -2212.76 1 -2213.26
2230 0.364883 0.0566757 0.256713 0.320454 0.36492 0.509481 0.493441 1.73939 0 -2213.29 0.500921 -2212.78 1 -2213.27
2250 0.373483 0.071274 0.132675 0.216457 0.37358 0.511027 0.506977 1.75424 0 -2213.33 0.499109 -2212.81 1 -2213.32
2270 0.0825645 0.0162987 0.0351032 0.0518506 0.0824026 0.511489 0.510813 1.75518 0 -2213.34 0.49849 -2212.83 1 -2213.34
2290 0.0489606 0.0065091 0.020071 0.0416946 0.0491796 0.510276 0.510172 1.74714 0 -2213.34 0.501942 -2212.83 1 -2213.34
2310 0.0266206 0.0031489 0.0108576 0.0256646 0.0267344 0.510184 0.51013 1.74459 0 -2213.34 0.500376 -2212.83 1 -2213.34
2330 0.0124618 0.00154357 0.00672691 0.0106036 0.0124415 0.510139 0.510119 1.74358 0 -2213.34 0.499793 -2212.83 1 -2213.34
2333 0.00990034 0.00107295 0.00636252 0.00781094 0.00988001 0.510137 0.510118 1.74359 0 -2213.34 0.499816 -2212.83 1 -2213.34
Climbing replica = 2
Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
2333 0.00988001 0.000993445 0.00636252 0.00781094 0.00988001 0.510137 0.510118 1.74359 0 -2213.34 0.499816 -2212.83 1 -2213.34
2334 0.00988001 0.000993445 0.00636252 0.00781094 0.00988001 0.510137 0.510118 1.74359 0 -2213.34 0.499816 -2212.83 1 -2213.34
Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
2250 0.996415 0.226541 0.33614 0.294715 0.998142 0.507062 0.541521 1.7556 0 -2213.29 0.5 -2212.78 1 -2213.32
2270 0.996288 0.226516 0.336119 0.294694 0.998016 0.507057 0.541516 1.7556 0 -2213.29 0.5 -2212.78 1 -2213.32
2290 0.993027 0.225873 0.335588 0.294144 0.99476 0.506929 0.541384 1.75559 0 -2213.29 0.500004 -2212.78 1 -2213.32
2310 0.932829 0.213927 0.325987 0.284121 0.934675 0.50463 0.539014 1.7554 0 -2213.29 0.500067 -2212.78 1 -2213.32
2330 0.317772 0.0558429 0.256826 0.194665 0.322529 0.487675 0.520672 1.75348 0 -2213.29 0.501174 -2212.8 1 -2213.32
2350 0.336471 0.058994 0.125201 0.0813743 0.337252 0.505663 0.5149 1.74235 0 -2213.33 0.494492 -2212.82 1 -2213.34
2370 0.0805508 0.0152189 0.0341883 0.0511 0.0823246 0.510855 0.510463 1.75083 0 -2213.34 0.492865 -2212.83 1 -2213.34
2390 0.0429446 0.00673353 0.0202532 0.0185029 0.0428344 0.510144 0.510179 1.74345 0 -2213.34 0.502622 -2212.83 1 -2213.34
2410 0.0184444 0.00219777 0.0101706 0.00892228 0.0184911 0.5101 0.510129 1.74292 0 -2213.34 0.500302 -2212.83 1 -2213.34
2421 0.00886009 0.00121876 0.00586664 0.00452904 0.00878744 0.510097 0.510113 1.7427 0 -2213.34 0.499429 -2212.83 1 -2213.34
Climbing replica = 2
Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
2421 0.00878744 0.00121876 0.00586664 0.00452904 0.00878744 0.510097 0.510113 1.7427 0 -2213.34 0.499429 -2212.83 1 -2213.34
2422 0.00878744 0.00121876 0.00586664 0.00452904 0.00878744 0.510097 0.510113 1.7427 0 -2213.34 0.499429 -2212.83 1 -2213.34
Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
2350 1.04273 0.240655 0.33614 0.508249 1.04401 0.527557 0.526184 1.76274 0 -2213.29 0.5 -2212.76 1 -2213.28
2370 1.0426 0.240629 0.336119 0.508207 1.04388 0.527551 0.526179 1.76274 0 -2213.29 0.5 -2212.76 1 -2213.28
2390 1.03932 0.239956 0.335588 0.5071 1.0406 0.52741 0.526059 1.76273 0 -2213.29 0.500007 -2212.76 1 -2213.28
2410 0.978793 0.227464 0.32599 0.486861 0.980188 0.524858 0.523892 1.76246 0 -2213.29 0.50013 -2212.76 1 -2213.29
2430 0.371763 0.0583308 0.256947 0.300972 0.37612 0.504695 0.507551 1.75915 0 -2213.29 0.502365 -2212.79 1 -2213.29
2450 0.338848 0.0691689 0.122243 0.180359 0.338853 0.5096 0.51009 1.74028 0 -2213.33 0.501023 -2212.82 1 -2213.33
2470 0.092183 0.0202091 0.0318257 0.0591619 0.0945665 0.511374 0.510966 1.75436 0 -2213.34 0.491425 -2212.83 1 -2213.34
2490 0.0963363 0.0144314 0.0440435 0.0324312 0.0971622 0.510364 0.510383 1.74148 0 -2213.34 0.503903 -2212.83 1 -2213.34
2510 0.0405848 0.0036363 0.0186432 0.0156764 0.0407552 0.510144 0.510144 1.74223 0 -2213.34 0.500904 -2212.83 1 -2213.34
2526 0.00967745 0.00195758 0.00385858 0.00407659 0.0101524 0.510119 0.510118 1.74224 0 -2213.34 0.500749 -2212.83 1 -2213.34
Climbing replica = 2
Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
2526 0.0101524 0.00221708 0.00385858 0.00407659 0.0101524 0.510119 0.510118 1.74224 0 -2213.34 0.500749 -2212.83 1 -2213.34
2546 0.0101522 0.00221703 0.0038585 0.00407655 0.0101522 0.510119 0.510118 1.74224 0 -2213.34 0.500749 -2212.83 1 -2213.34
2566 0.0101476 0.00221581 0.00385645 0.00407535 0.0101476 0.510119 0.510118 1.74224 0 -2213.34 0.500749 -2212.83 1 -2213.34
2586 0.010062 0.002193 0.00381945 0.0040536 0.010062 0.510119 0.510117 1.74224 0 -2213.34 0.500743 -2212.83 1 -2213.34
2590 0.00999691 0.00217513 0.00379201 0.00403716 0.00999691 0.510119 0.510117 1.74225 0 -2213.34 0.500738 -2212.83 1 -2213.34
Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
2100 10.2118 6.13448 0.333397 0.691048 10.5287 4.03029 1.49548 1.966 0 -2213.31 0.5 -2209.28 1 -2210.77
2120 10.2084 6.13211 0.333377 0.690971 10.5254 4.0297 1.4949 1.966 0 -2213.31 0.5 -2209.28 1 -2210.77
2140 10.1208 6.07103 0.332855 0.689009 10.4416 4.0146 1.47985 1.96601 0 -2213.31 0.499998 -2209.29 1 -2210.77
2160 8.62177 5.00813 0.323257 0.652414 9.01598 3.75933 1.22555 1.96694 0 -2213.31 0.500016 -2209.55 1 -2210.77
2180 2.95223 1.29528 0.236832 0.265951 0.265951 2.52594 0 2.08787 0 -2213.31 0.507924 -2210.88 1 -2210.79
2200 0.960646 0.349523 0.173565 0.203148 0.203148 2.52524 0 2.24095 0 -2213.32 0.505671 -2211.35 1 -2210.79
2220 0.405569 0.059463 0.103759 0.131658 0.131658 2.52247 0 2.23822 0 -2213.33 0.490478 -2211.49 1 -2210.81
2240 0.358252 0.105699 0.0522882 0.0680958 0.0680958 2.51896 0 2.23869 0 -2213.34 0.4963 -2211.42 1 -2210.82
2260 0.135058 0.0667444 0.0406034 0.0494972 0.0494972 2.51864 0 2.25231 0 -2213.34 0.499907 -2211.41 1 -2210.82
2280 0.119565 0.0661889 0.0256169 0.0313618 0.0313618 2.51823 0 2.25889 0 -2213.34 0.500182 -2211.41 1 -2210.82
2300 0.0842853 0.0464771 0.0212474 0.0260478 0.0260478 2.51814 0 2.26099 0 -2213.34 0.500128 -2211.41 1 -2210.82
Climbing replica = 3
Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
2300 0.0842853 0.0464771 0.0212474 0.0260478 0.0260478 2.51814 0 2.26099 0 -2213.34 0.500128 -2211.41 1 -2210.82
2320 0.0842666 0.0464656 0.0212473 0.0260477 0.0260477 2.51814 0 2.26099 0 -2213.34 0.500128 -2211.41 1 -2210.82
2340 0.0837842 0.04617 0.0212455 0.0260455 0.0260455 2.51814 0 2.26099 0 -2213.34 0.500128 -2211.41 1 -2210.82
2360 0.074964 0.0407291 0.0212113 0.026004 0.026004 2.51814 0 2.26102 0 -2213.34 0.500131 -2211.41 1 -2210.82
2380 0.0367864 0.0172307 0.0205054 0.025147 0.025147 2.51813 0 2.26154 0 -2213.34 0.500166 -2211.41 1 -2210.82
2400 0.0514076 0.0285844 0.0112449 0.013903 0.013903 2.518 0 2.26706 0 -2213.34 0.500245 -2211.41 1 -2210.82
2415 0.00956962 0.0017633 0.00710127 0.00887173 0.00887173 2.51796 0 2.26996 0 -2213.34 0.500288 -2211.42 1 -2210.82
Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
2250 1.02668 0.231587 0.333397 0.402399 1.02688 0.535566 0.523543 1.74202 0 -2213.31 0.5 -2212.77 1 -2213.3
2270 1.02655 0.231563 0.333377 0.402367 1.02675 0.53556 0.523538 1.74202 0 -2213.31 0.5 -2212.77 1 -2213.3
2290 1.02324 0.230939 0.332855 0.401554 1.02344 0.535423 0.523408 1.74201 0 -2213.31 0.499999 -2212.77 1 -2213.3
2310 0.962197 0.219348 0.323371 0.386758 0.962414 0.532957 0.521076 1.74185 0 -2213.31 0.499974 -2212.78 1 -2213.3
2330 0.347275 0.0608878 0.240338 0.268402 0.347942 0.514008 0.503436 1.74059 0 -2213.31 0.49951 -2212.8 1 -2213.3
2350 0.343751 0.0639803 0.121885 0.113218 0.344074 0.510887 0.511593 1.74046 0 -2213.33 0.496403 -2212.82 1 -2213.33
2370 0.0799157 0.0136883 0.0704584 0.0605622 0.0798817 0.510054 0.510156 1.74531 0 -2213.34 0.49861 -2212.83 1 -2213.34
2390 0.0325862 0.00467599 0.0301488 0.0250515 0.0325966 0.510002 0.510065 1.74339 0 -2213.34 0.501291 -2212.83 1 -2213.34
2410 0.0277898 0.00427192 0.0193737 0.0205939 0.0278062 0.510058 0.510069 1.74283 0 -2213.34 0.49996 -2212.83 1 -2213.34
2430 0.0115472 0.00143779 0.00458108 0.00554618 0.0115587 0.510099 0.510098 1.74269 0 -2213.34 0.499944 -2212.83 1 -2213.34
2431 0.00579851 0.000650075 0.00316633 0.00318128 0.00582033 0.510098 0.510097 1.74268 0 -2213.34 0.499946 -2212.83 1 -2213.34
Climbing replica = 2
Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
2431 0.00582033 0.000700972 0.00316633 0.00318128 0.00582033 0.510098 0.510097 1.74268 0 -2213.34 0.499946 -2212.83 1 -2213.34
2432 0.00582033 0.000700972 0.00316633 0.00318128 0.00582033 0.510098 0.510097 1.74268 0 -2213.34 0.499946 -2212.83 1 -2213.34
Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
2400 10.2235 6.14088 0.333397 0.560941 10.5304 4.06096 1.54124 1.96552 0 -2213.31 0.5 -2209.25 1 -2210.79
2420 10.2201 6.1385 0.333377 0.560887 10.5271 4.06037 1.54065 1.96552 0 -2213.31 0.5 -2209.25 1 -2210.79
2440 10.1323 6.07713 0.332855 0.559496 10.4429 4.04524 1.52554 1.96552 0 -2213.31 0.5 -2209.26 1 -2210.79
2460 8.62948 5.00926 0.323256 0.533609 9.01248 3.78943 1.27028 1.96637 0 -2213.31 0.500041 -2209.52 1 -2210.79
2480 2.97111 1.29084 0.236868 0.275829 0.275829 2.51426 0 2.08784 0 -2213.31 0.507861 -2210.86 1 -2210.8
2500 0.959443 0.351175 0.173619 0.172681 0.172681 2.51292 0 2.24331 0 -2213.32 0.50556 -2211.33 1 -2210.81
2520 0.38588 0.0603714 0.103802 0.0912192 0.0912192 2.51462 0 2.24375 0 -2213.33 0.491583 -2211.47 1 -2210.81
2540 0.288587 0.0726165 0.0538558 0.0609575 0.0609575 2.51719 0 2.24671 0 -2213.34 0.497432 -2211.41 1 -2210.82
2560 0.202676 0.106656 0.0382176 0.0309594 0.0309594 2.51749 0 2.26086 0 -2213.34 0.500857 -2211.41 1 -2210.82
2580 0.0429794 0.0221957 0.0299599 0.0238534 0.0238534 2.51766 0 2.26336 0 -2213.34 0.500746 -2211.41 1 -2210.82
2600 0.0322687 0.0175135 0.015823 0.0127789 0.0127789 2.51787 0 2.26631 0 -2213.34 0.499901 -2211.42 1 -2210.82
Climbing replica = 3
Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
2600 0.0322687 0.0175135 0.015823 0.0127789 0.0127789 2.51787 0 2.26631 0 -2213.34 0.499901 -2211.42 1 -2210.82
2620 0.0322623 0.0175093 0.0158229 0.0127789 0.0127789 2.51787 0 2.26631 0 -2213.34 0.499901 -2211.42 1 -2210.82
2640 0.0320965 0.0174025 0.0158216 0.0127778 0.0127778 2.51787 0 2.26631 0 -2213.34 0.499902 -2211.42 1 -2210.82
2660 0.0290885 0.0154397 0.0157959 0.0127563 0.0127563 2.51787 0 2.26634 0 -2213.34 0.499906 -2211.42 1 -2210.82
2680 0.0155258 0.00477329 0.0153023 0.0123506 0.0123506 2.51787 0 2.26679 0 -2213.34 0.499984 -2211.42 1 -2210.82
2700 0.0211868 0.0104682 0.00817366 0.00669815 0.00669815 2.51792 0 2.27114 0 -2213.34 0.500275 -2211.42 1 -2210.82
2705 0.00670979 0.00350172 0.00300281 0.00258959 0.00258959 2.51794 0 2.2734 0 -2213.34 0.500053 -2211.42 1 -2210.82
Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
2550 1.07249 0.264594 0.333397 0.740445 1.07301 0.55072 0.49949 1.74628 0 -2213.31 0.5 -2212.76 1 -2213.26
2570 1.07236 0.264567 0.333377 0.740341 1.07287 0.550714 0.499486 1.74628 0 -2213.31 0.5 -2212.76 1 -2213.26
2590 1.06883 0.263852 0.332855 0.737674 1.06935 0.550563 0.499399 1.74626 0 -2213.31 0.500002 -2212.76 1 -2213.26
2610 1.00377 0.250543 0.323364 0.688819 1.00431 0.547846 0.497813 1.74601 0 -2213.31 0.500031 -2212.76 1 -2213.26
2630 0.364976 0.0625081 0.239814 0.325576 0.366173 0.527038 0.484594 1.74336 0 -2213.31 0.500503 -2212.79 1 -2213.27
2650 0.382696 0.0730307 0.125706 0.244586 0.382887 0.515802 0.504716 1.74258 0 -2213.33 0.499732 -2212.82 1 -2213.32
2670 0.104285 0.0162542 0.0376625 0.0582349 0.106022 0.511355 0.510917 1.75709 0 -2213.34 0.50184 -2212.83 1 -2213.34
2690 0.0616293 0.00845784 0.0222288 0.05303 0.0634796 0.510718 0.510407 1.75285 0 -2213.34 0.502132 -2212.83 1 -2213.34
2710 0.0256004 0.00437569 0.00763474 0.0256004 0.0219846 0.510215 0.510159 1.74627 0 -2213.34 0.501154 -2212.83 1 -2213.34
2730 0.00960281 0.00140235 0.00304618 0.00745892 0.00973351 0.510142 0.510128 1.74469 0 -2213.34 0.500025 -2212.83 1 -2213.34
Climbing replica = 2
Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
2730 0.00973351 0.0016775 0.00304618 0.00745892 0.00973351 0.510142 0.510128 1.74469 0 -2213.34 0.500025 -2212.83 1 -2213.34
2731 0.00973351 0.0016775 0.00304618 0.00745892 0.00973351 0.510142 0.510128 1.74469 0 -2213.34 0.500025 -2212.83 1 -2213.34
Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
2700 10.4043 6.30602 0.333397 0.712523 10.6906 4.14369 1.62341 2.00092 0 -2213.31 0.5 -2209.16 1 -2210.79
2720 10.4008 6.30356 0.333377 0.712453 10.6872 4.14308 1.6228 2.00092 0 -2213.31 0.5 -2209.16 1 -2210.79
2740 10.3102 6.24014 0.332855 0.710664 10.6 4.1274 1.60719 2.00091 0 -2213.31 0.500002 -2209.18 1 -2210.79
2760 8.76124 5.13831 0.323254 0.677236 9.11961 3.8629 1.34375 2.00163 0 -2213.31 0.500076 -2209.45 1 -2210.79
2780 3.03032 1.32078 0.236853 0.270629 0.270629 2.50926 0 2.12106 0 -2213.31 0.508274 -2210.81 1 -2210.8
2800 0.959411 0.341284 0.173572 0.157402 0.157402 2.51044 0 2.2733 0 -2213.32 0.507033 -2211.3 1 -2210.81
2820 0.383219 0.0557002 0.103892 0.0832242 0.0832242 2.51371 0 2.26292 0 -2213.33 0.49384 -2211.46 1 -2210.81
2840 0.298418 0.0764882 0.0533911 0.0445197 0.0445197 2.51688 0 2.25172 0 -2213.34 0.497224 -2211.42 1 -2210.82
2860 0.102174 0.0499693 0.0410915 0.028773 0.028773 2.5172 0 2.26291 0 -2213.34 0.500215 -2211.41 1 -2210.82
2880 0.088089 0.0494011 0.0259378 0.0180907 0.0180907 2.51764 0 2.26622 0 -2213.34 0.500173 -2211.41 1 -2210.82
2900 0.024413 0.00815881 0.024413 0.0170138 0.0170138 2.51768 0 2.26655 0 -2213.34 0.500154 -2211.41 1 -2210.82
Climbing replica = 3
Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
2900 0.024413 0.00815881 0.024413 0.0170138 0.0170138 2.51768 0 2.26655 0 -2213.34 0.500154 -2211.41 1 -2210.82
2920 0.024413 0.00815732 0.024413 0.0170137 0.0170137 2.51768 0 2.26655 0 -2213.34 0.500154 -2211.41 1 -2210.82
2940 0.0244109 0.00811882 0.0244109 0.0170123 0.0170123 2.51768 0 2.26655 0 -2213.34 0.500154 -2211.41 1 -2210.82
2960 0.024372 0.00741607 0.024372 0.0169854 0.0169854 2.51768 0 2.26656 0 -2213.34 0.500153 -2211.41 1 -2210.82
2980 0.0236779 0.00193974 0.0236779 0.0165065 0.0165065 2.51769 0 2.26673 0 -2213.34 0.500151 -2211.41 1 -2210.82
3000 0.0125045 0.00465071 0.0125045 0.00879736 0.00879736 2.51787 0 2.27026 0 -2213.34 0.500225 -2211.42 1 -2210.82
3003 0.00734388 0.00280677 0.00696949 0.00497533 0.00497533 2.51792 0 2.27235 0 -2213.34 0.500255 -2211.42 1 -2210.82
Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
2850 1.02576 0.227789 0.333397 0.520132 1.02731 0.547543 0.502429 1.72979 0 -2213.31 0.5 -2212.76 1 -2213.26
2870 1.02564 0.227765 0.333377 0.5201 1.02719 0.547538 0.502424 1.72979 0 -2213.31 0.5 -2212.76 1 -2213.26
2890 1.02243 0.227154 0.332855 0.519286 1.02399 0.547401 0.502311 1.72979 0 -2213.31 0.499998 -2212.76 1 -2213.26
2910 0.963356 0.215807 0.323376 0.504337 0.964997 0.544937 0.500275 1.72976 0 -2213.31 0.499959 -2212.76 1 -2213.26
2930 0.36698 0.0621231 0.240717 0.339068 0.370777 0.525273 0.486264 1.73106 0 -2213.31 0.499259 -2212.79 1 -2213.27
2950 0.325241 0.0658099 0.120377 0.174695 0.325454 0.514627 0.506087 1.74593 0 -2213.33 0.498611 -2212.82 1 -2213.32
2970 0.0833702 0.0131246 0.0364962 0.0514897 0.0875782 0.511304 0.510779 1.75544 0 -2213.34 0.504295 -2212.83 1 -2213.34
2990 0.0672459 0.0101732 0.0292887 0.0479852 0.0672612 0.510291 0.51028 1.74401 0 -2213.34 0.499509 -2212.83 1 -2213.34
3010 0.0280737 0.00215786 0.0131924 0.0280737 0.0239316 0.510147 0.510129 1.74333 0 -2213.34 0.499514 -2212.83 1 -2213.34
3018 0.00859213 0.000860338 0.00413808 0.00492247 0.00861342 0.510123 0.510119 1.74332 0 -2213.34 0.499622 -2212.83 1 -2213.34
Climbing replica = 2
Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
3018 0.00861342 0.000859006 0.00413808 0.00492247 0.00861342 0.510123 0.510119 1.74332 0 -2213.34 0.499622 -2212.83 1 -2213.34
3019 0.00861342 0.000859006 0.00413808 0.00492247 0.00861342 0.510123 0.510119 1.74332 0 -2213.34 0.499622 -2212.83 1 -2213.34
Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
3000 9.69974 5.72119 0.333397 1.03445 10.0369 3.86161 1.31734 1.9417 0 -2213.31 0.5 -2209.45 1 -2210.76
3020 9.69666 5.71904 0.333377 1.0343 10.034 3.86108 1.31682 1.9417 0 -2213.31 0.5 -2209.45 1 -2210.76
3040 9.61772 5.66396 0.332855 1.03045 9.95898 3.84745 1.30333 1.9417 0 -2213.31 0.5 -2209.46 1 -2210.76
3060 8.2604 4.70104 0.323267 0.95884 8.67957 3.61585 1.07424 1.94241 0 -2213.31 0.500054 -2209.69 1 -2210.77
3080 2.82078 1.21278 0.237028 0.306129 0.306129 2.5258 0 2.0574 0 -2213.31 0.508181 -2210.96 1 -2210.79
3100 0.948828 0.346323 0.173671 0.193772 0.193772 2.52607 0 2.21131 0 -2213.32 0.505566 -2211.41 1 -2210.79
3120 0.407957 0.0602332 0.103631 0.140457 0.140457 2.52346 0 2.2191 0 -2213.33 0.488574 -2211.55 1 -2210.8
3140 0.364612 0.102646 0.0523422 0.108105 0.108105 2.51928 0 2.23191 0 -2213.34 0.494133 -2211.44 1 -2210.82
3160 0.137524 0.0697319 0.0405944 0.0516647 0.0516647 2.51879 0 2.2475 0 -2213.34 0.49884 -2211.42 1 -2210.82
3180 0.121252 0.0666785 0.0256245 0.0323847 0.0323847 2.51829 0 2.25652 0 -2213.34 0.499961 -2211.42 1 -2210.82
3200 0.0858341 0.047264 0.0212534 0.0268825 0.0268825 2.51818 0 2.25906 0 -2213.34 0.499925 -2211.42 1 -2210.82
Climbing replica = 3
Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
3200 0.0858341 0.047264 0.0212534 0.0268825 0.0268825 2.51818 0 2.25906 0 -2213.34 0.499925 -2211.42 1 -2210.82
3220 0.0858151 0.0472524 0.0212533 0.0268824 0.0268824 2.51818 0 2.25906 0 -2213.34 0.499925 -2211.42 1 -2210.82
3240 0.085325 0.0469521 0.0212515 0.0268802 0.0268802 2.51818 0 2.25906 0 -2213.34 0.499925 -2211.42 1 -2210.82
3260 0.0763647 0.0414249 0.0212174 0.0268374 0.0268374 2.51818 0 2.25909 0 -2213.34 0.499928 -2211.42 1 -2210.82
3280 0.0373586 0.0171503 0.0205115 0.0259547 0.0259547 2.51817 0 2.25968 0 -2213.34 0.499969 -2211.42 1 -2210.82
3300 0.0525021 0.0291791 0.0112418 0.0143847 0.0143847 2.51801 0 2.26611 0 -2213.34 0.500148 -2211.42 1 -2210.82
3315 0.00985993 0.00176473 0.00709388 0.00921546 0.00921546 2.51797 0 2.2694 0 -2213.34 0.500243 -2211.42 1 -2210.82
Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
2450 0.993099 0.219189 0.402399 0.299711 0.9931 0.511368 0.52034 1.77348 0 -2213.3 0.5 -2212.78 1 -2213.3
2470 0.992973 0.219166 0.402367 0.299693 0.992974 0.511363 0.520335 1.77348 0 -2213.3 0.5 -2212.78 1 -2213.3
2490 0.989735 0.218564 0.401554 0.299221 0.989735 0.511243 0.520204 1.77347 0 -2213.3 0.499999 -2212.78 1 -2213.3
2510 0.929951 0.207364 0.386757 0.29067 0.929952 0.50909 0.51786 1.77329 0 -2213.3 0.499981 -2212.79 1 -2213.3
2530 0.311709 0.0591171 0.26832 0.219457 0.311721 0.49341 0.500071 1.77158 0 -2213.3 0.499654 -2212.81 1 -2213.31
2550 0.329861 0.0581088 0.116527 0.112332 0.329932 0.509482 0.507808 1.75105 0 -2213.33 0.501354 -2212.82 1 -2213.33
2570 0.0732633 0.0107973 0.0723075 0.0248689 0.0737526 0.509227 0.510943 1.75093 0 -2213.34 0.502102 -2212.83 1 -2213.34
2590 0.0537146 0.00771337 0.0204217 0.0153441 0.0537728 0.510146 0.510177 1.74063 0 -2213.34 0.498757 -2212.83 1 -2213.34
2610 0.0165171 0.0013944 0.00731874 0.00722755 0.0165147 0.510092 0.510095 1.74163 0 -2213.34 0.499642 -2212.83 1 -2213.34
2620 0.00850767 0.00125433 0.00334354 0.00416019 0.00855943 0.510094 0.510092 1.74235 0 -2213.34 0.500172 -2212.83 1 -2213.34
Climbing replica = 2
Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
2620 0.00855943 0.00125025 0.00334354 0.00416019 0.00855943 0.510094 0.510092 1.74235 0 -2213.34 0.500172 -2212.83 1 -2213.34
2621 0.00855943 0.00125025 0.00334354 0.00416019 0.00855943 0.510094 0.510092 1.74235 0 -2213.34 0.500172 -2212.83 1 -2213.34
Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
2700 1.06077 0.264354 0.402399 0.530036 1.06107 0.538798 0.471977 1.76907 0 -2213.3 0.5 -2212.76 1 -2213.23
2720 1.06064 0.264327 0.402367 0.530007 1.06094 0.538793 0.471973 1.76907 0 -2213.3 0.5 -2212.76 1 -2213.23
2740 1.05725 0.263625 0.401554 0.529264 1.05755 0.538653 0.47185 1.76905 0 -2213.3 0.500004 -2212.76 1 -2213.23
2760 0.994796 0.250596 0.386764 0.515813 0.99511 0.536133 0.469656 1.76872 0 -2213.3 0.500086 -2212.76 1 -2213.23
2780 0.404941 0.0701096 0.268704 0.404941 0.370314 0.516704 0.455927 1.76436 0 -2213.3 0.501563 -2212.78 1 -2213.24
2800 0.337868 0.0612732 0.107069 0.176834 0.33791 0.515031 0.499538 1.75826 0 -2213.33 0.504663 -2212.82 1 -2213.32
2820 0.0855987 0.0138592 0.0699199 0.0737132 0.0872703 0.51004 0.510006 1.76565 0 -2213.34 0.501259 -2212.83 1 -2213.34
2840 0.0807166 0.011249 0.0360377 0.0510637 0.0808097 0.510304 0.510123 1.74392 0 -2213.34 0.500983 -2212.83 1 -2213.34
2860 0.0153061 0.00168927 0.0106301 0.0153061 0.0154766 0.510175 0.510069 1.74465 0 -2213.34 0.500234 -2212.83 1 -2213.34
2874 0.00846157 0.000819038 0.00367139 0.0076394 0.00846576 0.510119 0.510095 1.74353 0 -2213.34 0.499829 -2212.83 1 -2213.34
Climbing replica = 2
Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
2874 0.00846576 0.000818597 0.00367139 0.0076394 0.00846576 0.510119 0.510095 1.74353 0 -2213.34 0.499829 -2212.83 1 -2213.34
2875 0.00846576 0.000818597 0.00367139 0.0076394 0.00846576 0.510119 0.510095 1.74353 0 -2213.34 0.499829 -2212.83 1 -2213.34
Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
2950 1.01375 0.227712 0.402399 0.410783 1.01377 0.519697 0.490944 1.8246 0 -2213.3 0.5 -2212.78 1 -2213.27
2970 1.01362 0.227687 0.402367 0.410747 1.01364 0.519693 0.490939 1.8246 0 -2213.3 0.5 -2212.78 1 -2213.27
2990 1.0103 0.227052 0.401554 0.409841 1.01032 0.519567 0.490814 1.82458 0 -2213.3 0.500003 -2212.78 1 -2213.27
3010 0.949127 0.215248 0.386756 0.393552 0.949146 0.517305 0.48857 1.82413 0 -2213.3 0.500056 -2212.78 1 -2213.27
3030 0.326309 0.061663 0.268408 0.297216 0.326309 0.500699 0.472314 1.81726 0 -2213.3 0.501038 -2212.8 1 -2213.27
3050 0.332946 0.0600054 0.114537 0.162865 0.334055 0.510685 0.500574 1.75605 0 -2213.33 0.50719 -2212.82 1 -2213.32
3070 0.0722203 0.0108067 0.0711354 0.0293276 0.0731129 0.509283 0.510779 1.75008 0 -2213.34 0.501912 -2212.83 1 -2213.34
3090 0.060973 0.00929441 0.024278 0.0415372 0.0610094 0.510177 0.510156 1.74196 0 -2213.34 0.498623 -2212.83 1 -2213.34
3110 0.0251508 0.00200643 0.00825568 0.0251508 0.0201461 0.5101 0.510081 1.7422 0 -2213.34 0.49985 -2212.83 1 -2213.34
3117 0.0086436 0.000986795 0.00355547 0.0086436 0.00832142 0.510096 0.510086 1.74244 0 -2213.34 0.500287 -2212.83 1 -2213.34
Climbing replica = 2
Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN
3117 0.0086436 0.00115855 0.00355547 0.0086436 0.00832142 0.510096 0.510086 1.74244 0 -2213.34 0.500287 -2212.83 1 -2213.34
3118 0.0086436 0.00115855 0.00355547 0.0086436 0.00832142 0.510096 0.510086 1.74244 0 -2213.34 0.500287 -2212.83 1 -2213.34