element(s):
['N']
AFLOW prototype label:
A_tP4_136_f
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2482', '1.3389436', '0.092623864']
model name:
Sim_LAMMPS_MEAM_AlmyrasSangiovanniSarakinos_2019_NAlTi__SM_871795249052_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['N']
representative atom coordinates =  [[0.09262386 0.09262386 0.        ]]
spacegroup =  136
cell =  [[4.2482, 0, 0], [0, 4.2482, 0], [0, 0, 5.6881]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:45:40      -16.522048        3.1917
BFGS:    1 17:45:40      -15.638895       16.6416
BFGS:    2 17:45:40      -16.775521        1.7517
BFGS:    3 17:45:40      -16.945216        1.5996
BFGS:    4 17:45:40      -17.168149        1.4654
BFGS:    5 17:45:40      -17.372714        1.3613
BFGS:    6 17:45:40      -17.559883        1.2693
BFGS:    7 17:45:40      -17.730997        1.1841
BFGS:    8 17:45:40      -17.887403        1.1041
BFGS:    9 17:45:40      -18.030356        1.0288
BFGS:   10 17:45:40      -18.161005        0.9582
BFGS:   11 17:45:40      -18.280398        0.8919
BFGS:   12 17:45:40      -18.389494        0.8298
BFGS:   13 17:45:40      -18.489166        0.7717
BFGS:   14 17:45:40      -18.580217        0.7174
BFGS:   15 17:45:40      -18.663379        0.6667
BFGS:   16 17:45:40      -18.739322        0.6194
BFGS:   17 17:45:40      -18.808663        0.5753
BFGS:   18 17:45:40      -18.871962        0.5342
BFGS:   19 17:45:40      -18.929736        0.4959
BFGS:   20 17:45:40      -18.982458        0.4603
BFGS:   21 17:45:40      -19.030558        0.4271
BFGS:   22 17:45:40      -19.074434        0.3962
BFGS:   23 17:45:40      -19.114502        0.3713
BFGS:   24 17:45:40      -19.152021        0.3717
BFGS:   25 17:45:41      -19.189796        0.3864
BFGS:   26 17:45:41      -19.232707        0.4090
BFGS:   27 17:45:41      -19.287027        0.4978
BFGS:   28 17:45:41      -19.355997        0.6072
BFGS:   29 17:45:41      -19.433093        0.6498
BFGS:   30 17:45:41      -19.492735        0.5514
BFGS:   31 17:45:41      -19.519603        0.1135
BFGS:   32 17:45:41      -19.520000        0.0033
BFGS:   33 17:45:41      -19.520000        0.0008
BFGS:   34 17:45:41      -19.520000        0.0000
BFGS:   35 17:45:41      -19.520000        0.0000
Minimization converged after 35 steps.
Maximum force component: 1.5454304502782182e-13 eV/Angstrom
Maximum stress component: 9.63567730994879e-16 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['N', 'N', 'N', 'N']
basis =  [[0.06679498 0.06679498 0.        ]
 [0.93320502 0.93320502 0.        ]
 [0.43320502 0.56679498 0.5       ]
 [0.56679498 0.43320502 0.5       ]]
cellpar =  Cell([[5.822424081649435, 1.4421869819290704e-34, 1.5653271255486638e-33], [1.5209983169452963e-34, 5.822424081649435, 5.580669708027351e-17], [1.4948746970084865e-32, 7.188163322453382e-17, 7.359819294829057]])
forces =  [[-1.54543045e-13 -1.54543045e-13 -1.48126223e-30]
 [ 1.54543045e-13  1.54543045e-13  1.48126223e-30]
 [ 1.54543045e-13 -1.54543045e-13 -1.48126223e-30]
 [-1.54543045e-13  1.54543045e-13  1.48126223e-30]]
stress =  [ 9.63567731e-16  9.63567731e-16  2.31662945e-47  1.51670646e-31
 -1.95713096e-48  2.17103981e-64]
energy per atom =  -4.879999994596931
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0