element(s):
['Na']
AFLOW prototype label:
A_hP4_194_ac
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.463', '1.4525207']
model name:
MEAM_LAMMPS_KimKoLee_2020_Na__MO_321355778754_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Na', 'Na']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[4.463, 0, 0], [-2.2315, 3.8650713770899, 0], [0, 0, 6.4826]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:28:00       -3.002080         1.006714
BFGS:    1 14:28:00       -3.042818         0.967859
BFGS:    2 14:28:00       -3.173837         0.839315
BFGS:    3 14:28:00       -3.289012         0.731345
BFGS:    4 14:28:00       -3.389451         0.638434
BFGS:    5 14:28:00       -3.476204         0.552356
BFGS:    6 14:28:00       -3.544492         0.405895
BFGS:    7 14:28:00       -3.568025         0.459724
BFGS:    8 14:28:00       -3.620893         0.390471
BFGS:    9 14:28:00       -3.663647         0.326893
BFGS:   10 14:28:00       -3.697243         0.268587
BFGS:   11 14:28:00       -3.722576         0.215186
BFGS:   12 14:28:00       -3.740474         0.165062
BFGS:   13 14:28:00       -3.731793         0.950495
BFGS:   14 14:28:01       -3.744202         0.145023
BFGS:   15 14:28:01       -3.746184         0.132060
BFGS:   16 14:28:01       -3.749162         0.571684
BFGS:   17 14:28:01       -3.753102         0.317792
BFGS:   18 14:28:01       -3.759159         0.226709
BFGS:   19 14:28:01       -3.776209         0.125011
BFGS:   20 14:28:01       -3.790143         0.097743
BFGS:   21 14:28:01       -3.801959         0.091503
BFGS:   22 14:28:01       -3.811830         0.088839
BFGS:   23 14:28:01       -3.819683         0.082534
BFGS:   24 14:28:01       -3.825365         0.071931
BFGS:   25 14:28:01       -3.828699         0.056403
BFGS:   26 14:28:01       -3.829564         0.039536
BFGS:   27 14:28:01       -3.829664         0.038260
BFGS:   28 14:28:01       -3.830979         0.001590
BFGS:   29 14:28:01       -3.830981         0.000068
BFGS:   30 14:28:01       -3.830981         0.000001
BFGS:   31 14:28:01       -3.830981         0.000000
BFGS:   32 14:28:01       -3.830981         0.000000
Minimization converged after 32 steps.
Maximum force component: 1.1420239744948704e-32 eV/Angstrom
Maximum stress component: 7.45396586429788e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Na', 'Na', 'Na', 'Na']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.81852957e-52 3.03607262e-52 5.00000000e-01]
 [3.33333333e-01 6.66666667e-01 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 7.50000000e-01]]
cellpar =  Cell([[5.55911952669485, 4.884723377571702e-17, 5.984110979664118e-37], [-2.779559763347425, 4.8143387327918665, 3.553904952365515e-37], [1.8065590240364716e-36, -5.1188052975888325e-37, 6.676846405652486]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.14202397e-32  9.89021774e-33  5.35797434e-34]]
stress =  [ 3.05237268e-12  3.05237268e-12  7.45396586e-12 -1.07246275e-47
 -5.07336078e-48  3.25584296e-28]
energy per atom =  -0.9577453047353994
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0