element(s):
['N']
AFLOW prototype label:
A_oP2_51_e
Parameter names:
['a', 'b/a', 'c/a', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['7.3041', '0.4598787', '0.18035076', '0.73032605']
model name:
Sim_LAMMPS_MEAM_AlmyrasSangiovanniSarakinos_2019_NAlTi__SM_871795249052_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['N']
representative atom coordinates =  [[0.25       0.         0.73032605]]
spacegroup =  51
cell =  [[7.3041, 0, 0], [0, 3.359, 0], [0, 0, 1.3173]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:15:41       -3.193185         8.143438
BFGS:    1 17:15:41       -3.735380         6.726212
BFGS:    2 17:15:42       -4.131565         4.555188
BFGS:    3 17:15:42       -4.449114         3.017990
BFGS:    4 17:15:42       -4.607955         2.612769
BFGS:    5 17:15:42       -4.724615         2.251428
BFGS:    6 17:15:42       -4.828317         1.935089
BFGS:    7 17:15:42       -4.922550         1.660468
BFGS:    8 17:15:42       -5.006854         1.526985
BFGS:    9 17:15:42       -5.081014         1.342490
BFGS:   10 17:15:42       -5.145555         1.148186
BFGS:   11 17:15:42       -5.201424         0.964950
BFGS:   12 17:15:42       -5.249692         0.801272
BFGS:   13 17:15:42       -5.291392         0.659490
BFGS:   14 17:15:42       -5.327452         0.556217
BFGS:   15 17:15:42       -5.358682         0.474797
BFGS:   16 17:15:42       -5.385775         0.405142
BFGS:   17 17:15:42       -5.409321         0.345584
BFGS:   18 17:15:42       -5.429885         0.303100
BFGS:   19 17:15:42       -5.450552         0.385911
BFGS:   20 17:15:42       -5.479491         0.632089
BFGS:   21 17:15:43       -5.518080         0.678054
BFGS:   22 17:15:43       -5.535928         0.192702
BFGS:   23 17:15:43       -5.536808         0.189515
BFGS:   24 17:15:43       -5.544826         0.303053
BFGS:   25 17:15:43       -5.550888         0.489890
BFGS:   26 17:15:43       -5.556057         0.574433
BFGS:   27 17:15:43       -5.560681         0.590320
BFGS:   28 17:15:43       -5.564836         0.561035
BFGS:   29 17:15:43       -5.568509         0.504196
BFGS:   30 17:15:43       -5.571967         0.433525
BFGS:   31 17:15:43       -5.576644         0.377469
BFGS:   32 17:15:43       -5.583667         0.283226
BFGS:   33 17:15:44       -5.586992         0.211857
BFGS:   34 17:15:44       -5.587188         0.112676
BFGS:   35 17:15:44       -5.587264         0.000905
BFGS:   36 17:15:44       -5.587264         0.000004
BFGS:   37 17:15:44       -5.587264         0.000000
Minimization converged after 37 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.2337870262026584e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['N', 'N']
basis =  [[0.25       0.         0.74237922]
 [0.75       0.         0.25762078]]
cellpar =  Cell([[10.187834551010665, -1.4977612281725748e-34, 0.0], [1.944108679478651e-35, 5.947090117414647, 0.0], [0.0, 0.0, 1.2050633625408655]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [0.00000000e+00 0.00000000e+00 3.23378703e-12 0.00000000e+00
 0.00000000e+00 0.00000000e+00]
energy per atom =  -2.7936320450113
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0