element(s):
['H', 'V']
AFLOW prototype label:
AB2_mC6_12_a_i
Parameter names:
['a', 'b/a', 'c/a', 'beta', 'x2', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.4855', '0.6551555', '1.5098428', '138.2364', '0.99357027', '0.26479143']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['H', 'V']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.99357027 0.         0.26479143]]
spacegroup =  12
cell =  [[4.4855, 0, 0], [0, 2.9387, 0], [-5.051528400303, 0, 4.5108161768057]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 13:29:32      -79.678474       89.5060
BFGS:    1 13:29:32      -97.185195       61.1113
BFGS:    2 13:29:32     -102.309686       50.2878
BFGS:    3 13:29:32     -106.627007       42.2472
BFGS:    4 13:29:32     -110.881357       34.9456
BFGS:    5 13:29:32     -113.861351       28.9919
BFGS:    6 13:29:32     -116.438875       23.7912
BFGS:    7 13:29:32     -118.399956       19.4378
BFGS:    8 13:29:32     -119.949138       15.8148
BFGS:    9 13:29:32     -121.147506       12.9049
BFGS:   10 13:29:32     -122.085757       10.5851
BFGS:   11 13:29:32     -122.840894        8.7361
BFGS:   12 13:29:32     -123.465348        7.2106
BFGS:   13 13:29:32     -123.989100        5.8744
BFGS:   14 13:29:32     -124.427881        4.6929
BFGS:   15 13:29:32     -124.789426        3.6006
BFGS:   16 13:29:32     -125.076020        2.6060
BFGS:   17 13:29:32     -125.288102        2.0869
BFGS:   18 13:29:32     -125.425652        2.0060
BFGS:   19 13:29:32     -125.489859        1.6628
BFGS:   20 13:29:32     -125.502399        1.3681
BFGS:   21 13:29:32     -125.521848        1.1419
BFGS:   22 13:29:32     -125.540521        0.8068
BFGS:   23 13:29:32     -125.547197        0.3568
BFGS:   24 13:29:32     -125.548570        0.2178
BFGS:   25 13:29:32     -125.549129        0.1198
BFGS:   26 13:29:32     -125.549561        0.0526
BFGS:   27 13:29:32     -125.549679        0.0113
BFGS:   28 13:29:32     -125.549684        0.0016
BFGS:   29 13:29:32     -125.549684        0.0004
BFGS:   30 13:29:32     -125.549684        0.0001
BFGS:   31 13:29:32     -125.549684        0.0000
BFGS:   32 13:29:32     -125.549684        0.0000
BFGS:   33 13:29:32     -125.549684        0.0000
BFGS:   34 13:29:33     -125.549684        0.0000
BFGS:   35 13:29:33     -125.549684        0.0000
Minimization converged after 35 steps.
Maximum force component: 6.847449687152245e-09 eV/Angstrom
Maximum stress component: 3.554288608416937e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['H', 'H', 'V', 'V', 'V', 'V']
basis =  [[0.         0.         0.        ]
 [0.5        0.5        1.        ]
 [0.91207369 0.         0.24540702]
 [0.08792631 0.         0.75459298]
 [0.41207369 0.5        0.24540702]
 [0.58792631 0.5        0.75459298]]
cellpar =  Cell([[5.047630690882329, -1.043697726003234e-18, 0.32821884159022996], [-1.0257654369630748e-18, 2.9204054055991207, -3.749143436774392e-18], [-5.357896347584192, -4.5069003214378875e-18, 4.4433123819570275]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.22038960e-09 -7.86424496e-27  6.84744969e-09]
 [ 1.22038960e-09  7.86438895e-27 -6.84744969e-09]
 [-1.22038960e-09 -7.86424496e-27  6.84744969e-09]
 [ 1.22038960e-09  7.86453294e-27 -6.84744969e-09]]
stress =  [-4.92066039e-11 -2.12382194e-10 -3.55428861e-10  2.31791154e-29
 -4.31335573e-11  2.37424432e-30]
energy per atom =  -20.924947378038194
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is AB2_mC6_12_a_i, while relaxed is AB2_hP3_164_a_d. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.