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 4 26.401239 1.4108266 0.0026513225 26.401239 23.658974 135.37566 59.93451 31.466192 0 -1468817 0.025641026 -1468816.3 0.051282051 -1468814.3 0.076923077 -1468811 0.1025641 -1468806.4 0.12820513 -1468800.8 0.15384615 -1468794.1 0.17948718 -1468786.5 0.20512821 -1468778.1 0.23076923 -1468769.2 0.25641026 -1468759.9 0.28205128 -1468750.4 0.30769231 -1468740.9 0.33333333 -1468731.4 0.35897436 -1468722.2 0.38461538 -1468713.5 0.41025641 -1468705.3 0.43589744 -1468697.9 0.46153846 -1468691.5 0.48717949 -1468686.5 0.51282051 -1468683.2 0.53846154 -1468681.6 0.56410256 -1468681.9 0.58974359 -1468683.7 0.61538462 -1468686.9 0.64102564 -1468691.3 0.66666667 -1468696.5 0.69230769 -1468702.3 0.71794872 -1468708.4 0.74358974 -1468714.7 0.76923077 -1468721 0.79487179 -1468727 0.82051282 -1468732.5 0.84615385 -1468737.3 0.87179487 -1468741.2 0.8974359 -1468744 0.92307692 -1468745.5 0.94871795 -1468745.7 0.97435897 -1468744.3 1 -1468741.6 483 0.36800953 0.18998115 0.00037829563 0.11850129 1.3433478 14.565574 0.63747333 157.23029 0 -1468817 0.0073573186 -1468817 0.017317081 -1468817.3 0.031813493 -1468817.6 0.051743241 -1468817.3 0.071177862 -1468817.8 0.090085608 -1468818.2 0.10981268 -1468817.9 0.12833563 -1468816.8 0.15124018 -1468816.4 0.17541144 -1468815.6 0.20158659 -1468814.6 0.23256818 -1468813.6 0.26331464 -1468812.1 0.29859681 -1468808.3 0.34159808 -1468806.9 0.38782207 -1468805.9 0.43175179 -1468805.4 0.47224739 -1468805 0.51177488 -1468804.1 0.5528808 -1468803.9 0.60437185 -1468802.5 0.65477227 -1468803.1 0.6967082 -1468802.9 0.73479855 -1468803.3 0.77177907 -1468802.9 0.80444743 -1468802.7 0.83397985 -1468803 0.86328682 -1468803.1 0.88846972 -1468802.4 0.908682 -1468803.1 0.93119508 -1468802.8 0.94545379 -1468802.9 0.95727442 -1468802.8 0.9667619 -1468803 0.97449454 -1468802.9 0.9795959 -1468803 0.98370078 -1468803.1 0.98961094 -1468803 1 -1468803.1 Setting up climbing ... Climbing replica = 30 Step MaxReplicaForce MaxAtomForce GradV0 GradV1 GradVc EBF EBR RDT RD1 PE1 RD2 PE2 ... RDN PEN 483 1.3433478 0.59295246 0.00037829563 0.11850129 1.3433478 14.565574 0.63747333 157.23029 0 -1468817 0.0073573186 -1468817 0.017317081 -1468817.3 0.031813493 -1468817.6 0.051743241 -1468817.3 0.071177862 -1468817.8 0.090085608 -1468818.2 0.10981268 -1468817.9 0.12833563 -1468816.8 0.15124018 -1468816.4 0.17541144 -1468815.6 0.20158659 -1468814.6 0.23256818 -1468813.6 0.26331464 -1468812.1 0.29859681 -1468808.3 0.34159808 -1468806.9 0.38782207 -1468805.9 0.43175179 -1468805.4 0.47224739 -1468805 0.51177488 -1468804.1 0.5528808 -1468803.9 0.60437185 -1468802.5 0.65477227 -1468803.1 0.6967082 -1468802.9 0.73479855 -1468803.3 0.77177907 -1468802.9 0.80444743 -1468802.7 0.83397985 -1468803 0.86328682 -1468803.1 0.88846972 -1468802.4 0.908682 -1468803.1 0.93119508 -1468802.8 0.94545379 -1468802.9 0.95727442 -1468802.8 0.9667619 -1468803 0.97449454 -1468802.9 0.9795959 -1468803 0.98370078 -1468803.1 0.98961094 -1468803 1 -1468803.1 489 1.3630431 0.60432925 0.00037825995 0.11847766 1.3630431 14.574678 0.64665592 157.23111 0 -1468817 0.007357956 -1468817 0.017318114 -1468817.3 0.031813995 -1468817.6 0.051742859 -1468817.3 0.071177505 -1468817.8 0.090085558 -1468818.2 0.10981245 -1468817.9 0.12833629 -1468816.8 0.1512399 -1468816.4 0.17541082 -1468815.6 0.2015856 -1468814.6 0.23256599 -1468813.6 0.26331285 -1468812.1 0.29859455 -1468808.3 0.34159358 -1468806.9 0.38781677 -1468805.9 0.43174679 -1468805.4 0.47224321 -1468805 0.51177322 -1468804.1 0.55287979 -1468803.9 0.60437112 -1468802.5 0.65477089 -1468803.1 0.69670634 -1468802.9 0.73479596 -1468803.3 0.77177666 -1468802.9 0.80444498 -1468802.7 0.83397715 -1468803 0.86328402 -1468803.1 0.8884321 -1468802.4 0.90867508 -1468803.1 0.93119 -1468802.8 0.94545009 -1468802.9 0.95727063 -1468802.8 0.96675992 -1468803 0.97449266 -1468802.9 0.97959424 -1468803 0.98369962 -1468803.1 0.98961094 -1468803 1 -1468803.1