LAMMPS (11 Aug 2017) clear units metal dimension 3 boundary p p p atom_style atomic lattice fcc 4.03208199739 Lattice spacing in x,y,z = 4.03208 4.03208 4.03208 region whole block 0 56.59296768180899 -56.59699976380638 56.59699976380638 0 4.03208199739 units box create_box 2 whole Created orthogonal box = (0 -56.597 0) to (56.593 56.597 4.03208) 1 by 1 by 1 MPI processor grid region upper block INF INF 0.0 56.59699976380638 INF INF units box lattice fcc 4.03208199739 orient x 14 -1 0 orient y 1 14 0 orient z 0 0 1 Lattice spacing in x,y,z = 4.30911 4.30911 4.03208 create_atoms 1 region upper Created 790 atoms group upper type 1 790 atoms in group upper mass 1 26.981538 displace_atoms upper move 0.7017834423809101 0 0.0 region lower block INF INF -56.59699976380638 0.0 INF INF units box lattice fcc 4.03208199739 orient x 14 1 0 orient y -1 14 0 orient z 0 0 1 Lattice spacing in x,y,z = 4.30911 4.30911 4.03208 create_atoms 2 region lower Created 790 atoms group lower type 2 790 atoms in group lower displace_atoms lower move -0.7017834423809101 0 -0.0 mass 2 26.981538 pair_style kim LAMMPSvirial EAM_Dynamo_Ercolessi_Adams_Al__MO_123629422045_004 pair_coeff * * Al Al neighbor 2.0 bin neigh_modify delay 10 check yes delete_atoms overlap 2.01604099869 all all Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 7.55805 ghost atom cutoff = 7.55805 binsize = 3.77903, bins = 15 30 2 2 neighbor lists, perpetual/occasional/extra = 1 1 0 (1) command delete_atoms, occasional attributes: full, newton on pair build: full/bin/atomonly stencil: full/bin/3d bin: standard (2) pair kim, perpetual attributes: half, newton off pair build: half/bin/newtoff stencil: half/bin/3d/newtoff bin: standard Deleted 8 atoms, new total = 1572 min_style cg minimize 1e-15 1e-15 5000 10000 WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (../min.cpp:168) Neighbor list info ... update every 1 steps, delay 0 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 7.55805 ghost atom cutoff = 7.55805 binsize = 3.77903, bins = 15 30 2 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: half, newton off pair build: half/bin/newtoff stencil: half/bin/3d/newtoff bin: standard ERROR: Internal KIM error (../pair_kim.cpp:193) Last command: minimize 1e-15 1e-15 5000 10000