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 730 19.192453 1.3311943 0.00018439684 5.3903435 19.200602 123.34627 76.886318 26.373908 0 -1463361.1 0.025641026 -1463360.4 0.051282051 -1463358.5 0.076923077 -1463355.4 0.1025641 -1463351.1 0.12820513 -1463345.7 0.15384615 -1463339.4 0.17948718 -1463332.2 0.20512821 -1463324.4 0.23076923 -1463316.1 0.25641026 -1463307.6 0.28205128 -1463298.9 0.30769231 -1463290.4 0.33333333 -1463282 0.35897436 -1463273.9 0.38461538 -1463266.3 0.41025641 -1463259.2 0.43589744 -1463252.6 0.46153846 -1463247 0.48717949 -1463242.4 0.51282051 -1463239.3 0.53846154 -1463237.7 0.56410256 -1463237.8 0.58974359 -1463239.4 0.61538462 -1463242.3 0.64102564 -1463246.4 0.66666667 -1463251.4 0.69230769 -1463257.1 0.71794872 -1463263.2 0.74358974 -1463269.6 0.76923077 -1463276.3 0.79487179 -1463282.9 0.82051282 -1463289.3 0.84615385 -1463295.3 0.87179487 -1463300.9 0.8974359 -1463305.7 0.92307692 -1463309.6 0.94871795 -1463312.4 0.97435897 -1463314.1 1 -1463314.6 1067 0.28083274 0.1423824 0.0001744888 0.030359338 0.38606745 44.152465 0.50191164 113.29016 0 -1463361.1 0.0049649376 -1463361.1 0.0077019346 -1463361 0.011115019 -1463360.9 0.016055962 -1463360.6 0.023079723 -1463360.5 0.031351982 -1463359.9 0.043192469 -1463360.2 0.063666598 -1463360 0.081033258 -1463359.3 0.10057972 -1463358.5 0.12326965 -1463357.7 0.1542015 -1463356.6 0.18414394 -1463354.8 0.21680599 -1463353.2 0.253318 -1463352.2 0.29152232 -1463349.2 0.3311432 -1463347.6 0.3772481 -1463345.5 0.42346449 -1463342.4 0.47401991 -1463340.6 0.52503468 -1463336 0.57450308 -1463332.4 0.62876517 -1463331.3 0.67856174 -1463327.8 0.72606557 -1463325.9 0.76958924 -1463323.3 0.81506089 -1463321.9 0.8576045 -1463319.9 0.89275225 -1463318.3 0.91973898 -1463317.4 0.94239357 -1463317.4 0.95799875 -1463316.9 0.96755355 -1463317 0.97735232 -1463317.3 0.98054695 -1463317.4 0.98970887 -1463317.2 0.99456298 -1463317.4 0.9971676 -1463317.4 1 -1463317.4 Setting up climbing ... Climbing replica = 33 Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN 1067 0.38606745 0.32787225 0.0001744888 0.030359338 0.38606745 44.152465 0.50191164 113.29016 0 -1463361.1 0.0049649376 -1463361.1 0.0077019346 -1463361 0.011115019 -1463360.9 0.016055962 -1463360.6 0.023079723 -1463360.5 0.031351982 -1463359.9 0.043192469 -1463360.2 0.063666598 -1463360 0.081033258 -1463359.3 0.10057972 -1463358.5 0.12326965 -1463357.7 0.1542015 -1463356.6 0.18414394 -1463354.8 0.21680599 -1463353.2 0.253318 -1463352.2 0.29152232 -1463349.2 0.3311432 -1463347.6 0.3772481 -1463345.5 0.42346449 -1463342.4 0.47401991 -1463340.6 0.52503468 -1463336 0.57450308 -1463332.4 0.62876517 -1463331.3 0.67856174 -1463327.8 0.72606557 -1463325.9 0.76958924 -1463323.3 0.81506089 -1463321.9 0.8576045 -1463319.9 0.89275225 -1463318.3 0.91973898 -1463317.4 0.94239357 -1463317.4 0.95799875 -1463316.9 0.96755355 -1463317 0.97735232 -1463317.3 0.98054695 -1463317.4 0.98970887 -1463317.2 0.99456298 -1463317.4 0.9971676 -1463317.4 1 -1463317.4 1073 0.38527272 0.32729011 0.00017448702 0.0303534 0.38527272 44.153192 0.50264041 113.2907 0 -1463361.1 0.00496395 -1463361.1 0.0077009119 -1463361 0.011114187 -1463360.9 0.016055347 -1463360.6 0.023078551 -1463360.5 0.031351495 -1463359.9 0.04319345 -1463360.2 0.063672668 -1463360 0.08104075 -1463359.3 0.10058726 -1463358.5 0.1232768 -1463357.7 0.15420876 -1463356.6 0.18415159 -1463354.8 0.21681336 -1463353.2 0.2533242 -1463352.2 0.29152861 -1463349.2 0.33114993 -1463347.6 0.37725328 -1463345.5 0.42346957 -1463342.4 0.47402413 -1463340.6 0.52503908 -1463336 0.57450865 -1463332.4 0.628769 -1463331.3 0.67856653 -1463327.8 0.72607205 -1463325.9 0.7695973 -1463323.3 0.81506813 -1463321.9 0.85761218 -1463319.9 0.89276032 -1463318.3 0.91974976 -1463317.4 0.94240591 -1463317.4 0.9580237 -1463316.9 0.96756201 -1463317 0.97735946 -1463317.3 0.98054928 -1463317.4 0.98970852 -1463317.2 0.99456317 -1463317.4 0.99716818 -1463317.4 1 -1463317.4