element(s):
['N', 'Ti']
AFLOW prototype label:
AB2_tI12_141_a_e
Parameter names:
['a', 'c/a', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2124', '2.1346976', '0.64138343']
model name:
Sim_LAMMPS_MEAM_AlmyrasSangiovanniSarakinos_2019_NAlTi__SM_871795249052_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['N', 'Ti']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.         0.         0.76638343]]
spacegroup =  141
cell =  [[4.2124, 0, 0], [0, 4.2124, 0], [0, 0, 8.9922]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:43:00      -72.856372         0.598298
BFGS:    1 16:43:01      -72.868625         0.572165
BFGS:    2 16:43:01      -72.926555         0.413161
BFGS:    3 16:43:01      -72.962262         0.244165
BFGS:    4 16:43:01      -72.976906         0.145482
BFGS:    5 16:43:01      -72.978427         0.121187
BFGS:    6 16:43:02      -72.980455         0.064377
BFGS:    7 16:43:02      -72.981314         0.021830
BFGS:    8 16:43:02      -72.981448         0.012345
BFGS:    9 16:43:02      -72.981458         0.013273
BFGS:   10 16:43:03      -72.981464         0.013857
BFGS:   11 16:43:03      -72.981485         0.014297
BFGS:   12 16:43:03      -72.981518         0.012822
BFGS:   13 16:43:04      -72.981562         0.007907
BFGS:   14 16:43:04      -72.981587         0.004497
BFGS:   15 16:43:04      -72.981592         0.001007
BFGS:   16 16:43:04      -72.981593         0.000077
BFGS:   17 16:43:05      -72.981593         0.000008
BFGS:   18 16:43:05      -72.981593         0.000000
BFGS:   19 16:43:05      -72.981593         0.000000
Minimization converged after 19 steps.
Maximum force component: 4.738912704496625e-10 eV/Angstrom
Maximum stress component: 4.5109317624626895e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['N', 'N', 'N', 'N', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti']
basis =  [[0.00000000e+00 1.90806243e-33 1.74833686e-32]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 0.00000000e+00 7.50000000e-01]
 [3.77367817e-33 0.00000000e+00 7.63656849e-01]
 [5.00000000e-01 5.00000000e-01 2.63656849e-01]
 [0.00000000e+00 5.00000000e-01 1.36568493e-02]
 [5.00000000e-01 0.00000000e+00 5.13656849e-01]
 [5.00000000e-01 0.00000000e+00 9.86343151e-01]
 [0.00000000e+00 5.00000000e-01 4.86343151e-01]
 [5.00000000e-01 5.00000000e-01 7.36343151e-01]
 [2.83797854e-33 0.00000000e+00 2.36343151e-01]]
cellpar =  Cell([[4.152373967262444, 2.0982776285701836e-37, 2.0834228302954825e-38], [1.1860058409371261e-37, 4.152373967262444, -9.011673414050325e-20], [-3.0841118050045978e-52, -1.9420721696004828e-19, 8.929950614834858]])
forces =  [[-3.80146130e-84 -2.39378877e-51  1.10070139e-31]
 [-1.52058452e-83 -9.57515506e-51  4.40280558e-31]
 [-7.60292259e-84 -4.78757753e-51  2.20140279e-31]
 [-1.52058452e-83 -9.57515506e-51  4.40280558e-31]
 [ 1.63666489e-62  1.03061158e-29 -4.73891270e-10]
 [ 1.63666489e-62  1.03061158e-29 -4.73891270e-10]
 [ 1.63666430e-62  1.01013879e-29 -4.73891270e-10]
 [ 1.63666489e-62  1.03061158e-29 -4.73891270e-10]
 [-1.02363921e-31 -1.03061158e-29  4.73891270e-10]
 [-1.02363921e-31 -1.03061158e-29  4.73891270e-10]
 [-1.63666489e-62 -1.03061158e-29  4.73891270e-10]
 [-1.63666459e-62 -1.02037518e-29  4.73891270e-10]]
stress =  [-4.51093176e-10 -4.51093176e-10 -4.17359841e-11 -5.10176912e-27
 -8.91279247e-63 -3.02858704e-63]
energy per atom =  -6.0817993883849395
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0