LAMMPS (30 Oct 2014) Running on 40 partitions of processors Setting up regular NEB ... Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN 5001 32.344295 1.3950974 5.2725258e-05 0.917292 31.824572 220.07014 246.297 79.360137 0 -1468865.6 0.025641026 -1468863.9 0.051282051 -1468859.2 0.076923077 -1468851.7 0.1025641 -1468841.6 0.12820513 -1468829.4 0.15384615 -1468815.3 0.17948718 -1468799.7 0.20512821 -1468783.1 0.23076923 -1468766 0.25641026 -1468748.8 0.28205128 -1468731.9 0.30769231 -1468715.7 0.33333333 -1468700.4 0.35897436 -1468686.5 0.38461538 -1468674.2 0.41025641 -1468663.8 0.43589744 -1468655.4 0.46153846 -1468649.4 0.48717949 -1468646 0.51282051 -1468645.5 0.53846154 -1468648 0.56410256 -1468653.4 0.58974359 -1468661.6 0.61538462 -1468672.4 0.64102564 -1468685.6 0.66666667 -1468700.8 0.69230769 -1468717.7 0.71794872 -1468736 0.74358974 -1468755.3 0.76923077 -1468775.2 0.79487179 -1468795 0.82051282 -1468814.3 0.84615385 -1468832.5 0.87179487 -1468849 0.8974359 -1468863.5 0.92307692 -1468875.4 0.94871795 -1468884.3 0.97435897 -1468889.9 1 -1468891.8 5891 0.42886209 0.059027045 4.6287855e-05 0.00028454967 0.038423553 0.11592614 26.409921 313.85617 0 -1468865.6 0.012041758 -1468865.6 0.026404521 -1468865.5 0.045728858 -1468866.2 0.06517159 -1468866.8 0.086609511 -1468868 0.10922507 -1468869.3 0.13280751 -1468870.6 0.15530759 -1468871.3 0.17570203 -1468872.1 0.19453435 -1468872.9 0.21364254 -1468874.2 0.23540906 -1468875.8 0.26121339 -1468877.3 0.29496722 -1468878.5 0.33955232 -1468881 0.39710714 -1468893.4 0.46049389 -1468902.3 0.52645477 -1468895.9 0.59825317 -1468885.9 0.65724377 -1468889.9 0.7080934 -1468890.1 0.7581829 -1468890.6 0.80753102 -1468888.2 0.84310343 -1468888.2 0.86807926 -1468888.9 0.88753092 -1468889.3 0.90408639 -1468890.4 0.91745929 -1468890.5 0.92905022 -1468891.1 0.93660712 -1468890.9 0.94078422 -1468891.3 0.94703468 -1468891.4 0.95385571 -1468891.5 0.9614697 -1468891.6 0.9694367 -1468891.7 0.97743556 -1468891.8 0.98518528 -1468891.9 0.99267074 -1468891.9 1 -1468891.9 Setting up climbing ... Climbing replica = 3 Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN 5891 0.42886209 0.059027045 4.6287855e-05 0.00028454967 0.038423553 0.11592614 26.409921 313.85617 0 -1468865.6 0.012041758 -1468865.6 0.026404521 -1468865.5 0.045728858 -1468866.2 0.06517159 -1468866.8 0.086609511 -1468868 0.10922507 -1468869.3 0.13280751 -1468870.6 0.15530759 -1468871.3 0.17570203 -1468872.1 0.19453435 -1468872.9 0.21364254 -1468874.2 0.23540906 -1468875.8 0.26121339 -1468877.3 0.29496722 -1468878.5 0.33955232 -1468881 0.39710714 -1468893.4 0.46049389 -1468902.3 0.52645477 -1468895.9 0.59825317 -1468885.9 0.65724377 -1468889.9 0.7080934 -1468890.1 0.7581829 -1468890.6 0.80753102 -1468888.2 0.84310343 -1468888.2 0.86807926 -1468888.9 0.88753092 -1468889.3 0.90408639 -1468890.4 0.91745929 -1468890.5 0.92905022 -1468891.1 0.93660712 -1468890.9 0.94078422 -1468891.3 0.94703468 -1468891.4 0.95385571 -1468891.5 0.9614697 -1468891.6 0.9694367 -1468891.7 0.97743556 -1468891.8 0.98518528 -1468891.9 0.99267074 -1468891.9 1 -1468891.9 5897 0.42865893 0.059000847 4.6287535e-05 0.00028452027 0.038420038 0.11592792 26.409923 313.8603 0 -1468865.6 0.012042224 -1468865.6 0.026404716 -1468865.5 0.04572926 -1468866.2 0.065172196 -1468866.8 0.086610209 -1468868 0.10922582 -1468869.3 0.13280824 -1468870.6 0.15530831 -1468871.3 0.17570283 -1468872.1 0.19453538 -1468872.9 0.21364403 -1468874.2 0.23541102 -1468875.8 0.26121587 -1468877.3 0.29497018 -1468878.5 0.33955542 -1468881 0.39710935 -1468893.4 0.46049488 -1468902.3 0.52645417 -1468895.9 0.59825302 -1468885.9 0.6572448 -1468889.9 0.70809508 -1468890.1 0.75818415 -1468890.6 0.80753435 -1468888.2 0.84310716 -1468888.2 0.86808267 -1468888.9 0.88753422 -1468889.3 0.90408942 -1468890.4 0.91746266 -1468890.5 0.92905387 -1468891.1 0.93661018 -1468890.9 0.94078635 -1468891.3 0.94703621 -1468891.4 0.95385675 -1468891.5 0.96147035 -1468891.6 0.96943709 -1468891.7 0.97743579 -1468891.8 0.98518541 -1468891.9 0.99267079 -1468891.9 1 -1468891.9