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 13:21:43      -79.678474        89.506003
BFGS:    1 13:21:44      -97.185195        61.111304
BFGS:    2 13:21:44     -102.309686        50.287838
BFGS:    3 13:21:44     -106.627007        42.247180
BFGS:    4 13:21:44     -110.881357        34.945570
BFGS:    5 13:21:45     -113.861351        28.991893
BFGS:    6 13:21:45     -116.438875        23.791204
BFGS:    7 13:21:45     -118.399956        19.437814
BFGS:    8 13:21:45     -119.949138        15.814768
BFGS:    9 13:21:45     -121.147506        12.904874
BFGS:   10 13:21:45     -122.085757        10.585068
BFGS:   11 13:21:45     -122.840894         8.736143
BFGS:   12 13:21:45     -123.465348         7.210585
BFGS:   13 13:21:45     -123.989100         5.874365
BFGS:   14 13:21:45     -124.427881         4.692875
BFGS:   15 13:21:45     -124.789426         3.600610
BFGS:   16 13:21:45     -125.076020         2.605979
BFGS:   17 13:21:45     -125.288102         2.086892
BFGS:   18 13:21:45     -125.425652         2.006040
BFGS:   19 13:21:45     -125.489859         1.662772
BFGS:   20 13:21:45     -125.502399         1.368104
BFGS:   21 13:21:46     -125.521848         1.141897
BFGS:   22 13:21:46     -125.540521         0.806805
BFGS:   23 13:21:46     -125.547197         0.356802
BFGS:   24 13:21:46     -125.548570         0.217781
BFGS:   25 13:21:46     -125.549129         0.119755
BFGS:   26 13:21:46     -125.549561         0.052602
BFGS:   27 13:21:46     -125.549679         0.011258
BFGS:   28 13:21:46     -125.549684         0.001593
BFGS:   29 13:21:46     -125.549684         0.000360
BFGS:   30 13:21:46     -125.549684         0.000125
BFGS:   31 13:21:46     -125.549684         0.000018
BFGS:   32 13:21:46     -125.549684         0.000002
BFGS:   33 13:21:46     -125.549684         0.000000
BFGS:   34 13:21:46     -125.549684         0.000000
BFGS:   35 13:21:46     -125.549684         0.000000
Minimization converged after 35 steps.
Maximum force component: 6.847049985748543e-09 eV/Angstrom
Maximum stress component: 3.5541910839390033e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['H', 'H', 'V', 'V', 'V', 'V']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [9.12073689e-01 5.80336671e-33 2.45407022e-01]
 [8.79263112e-02 2.63789396e-33 7.54592978e-01]
 [4.12073689e-01 5.00000000e-01 2.45407022e-01]
 [5.87926311e-01 5.00000000e-01 7.54592978e-01]]
cellpar =  Cell([[5.0476306908823325, 2.186375948996824e-18, 0.3282188415901738], [2.0852133412022203e-18, 2.9204054055991207, 9.217323460877662e-18], [-5.357896347584145, 1.0848792438059405e-17, 4.443312381957088]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.22031972e-09  1.85079891e-26  6.84704999e-09]
 [ 1.22031972e-09 -1.85079891e-26 -6.84704999e-09]
 [-1.22031972e-09  1.85079891e-26  6.84704999e-09]
 [ 1.22031972e-09 -1.85079891e-26 -6.84704999e-09]]
stress =  [-4.92052899e-11 -2.12377573e-10 -3.55419108e-10  4.71101808e-26
 -4.31388221e-11 -4.82747607e-30]
energy per atom =  -20.924947378038212
===============================================
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.