element(s):
['C', 'Si']
AFLOW prototype label:
AB_hP4_186_b_b
Parameter names:
['a', 'c/a', 'z1', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.0918', '1.6407271', '8.9172044e-05', '0.37591083']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'Si']
representative atom coordinates =  [[0.33333333 0.66666667 0.50008917]
 [0.33333333 0.66666667 0.87591083]]
spacegroup =  186
cell =  [[3.0918, 0, 0], [-1.5459, 2.6775773434207, 0], [0, 0, 5.0728]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:41:27      -53.915594       12.6485
BFGS:    1 15:41:27      -55.506701       10.9211
BFGS:    2 15:41:27      -56.903884        9.6438
BFGS:    3 15:41:27      -57.764731        6.4915
BFGS:    4 15:41:27      -58.405787        4.0866
BFGS:    5 15:41:27      -58.497050        1.9477
BFGS:    6 15:41:27      -58.529623        0.8545
BFGS:    7 15:41:27      -58.553074        1.4694
BFGS:    8 15:41:27      -58.666644        1.7929
BFGS:    9 15:41:27      -58.909845        3.2985
BFGS:   10 15:41:27      -59.197036        4.0323
BFGS:   11 15:41:27      -59.573095        4.9282
BFGS:   12 15:41:27      -60.099623        6.3790
BFGS:   13 15:41:27      -60.750001        8.1710
BFGS:   14 15:41:27      -61.543261       10.3653
BFGS:   15 15:41:27      -62.108506       13.0059
BFGS:   16 15:41:27      -63.069444       13.8543
BFGS:   17 15:41:27      -64.139698       14.9752
BFGS:   18 15:41:27      -65.335245       16.2972
BFGS:   19 15:41:27      -66.661725       17.5182
BFGS:   20 15:41:27      -68.118392       18.6348
BFGS:   21 15:41:27      -69.680782       19.3323
BFGS:   22 15:41:27      -71.296988       19.2756
BFGS:   23 15:41:27      -72.855917       17.5619
BFGS:   24 15:41:27      -74.175333       13.2094
BFGS:   25 15:41:27      -74.966346        4.6675
BFGS:   26 15:41:27      -75.022283        3.0104
BFGS:   27 15:41:27      -75.043777        0.2085
BFGS:   28 15:41:27      -75.044060        0.0464
BFGS:   29 15:41:27      -75.044076        0.0379
BFGS:   30 15:41:27      -75.044080        0.0076
BFGS:   31 15:41:27      -75.044080        0.0010
BFGS:   32 15:41:27      -75.044080        0.0000
BFGS:   33 15:41:27      -75.044080        0.0000
BFGS:   34 15:41:27      -75.044080        0.0000
BFGS:   35 15:41:27      -75.044080        0.0000
Minimization converged after 35 steps.
Maximum force component: 5.798142613548576e-10 eV/Angstrom
Maximum stress component: 1.0533060664712644e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'Si', 'Si']
basis =  [[0.33333333 0.66666667 0.438     ]
 [0.66666666 0.33333334 0.938     ]
 [0.33333333 0.66666667 0.938     ]
 [0.66666666 0.33333334 0.438     ]]
cellpar =  Cell([[3.105587575607115, -6.3719277507705e-18, 6.080591670056853e-36], [-1.5527937878035576, 2.689517734153088, 3.568896952557632e-35], [1.756766016747062e-35, 2.4027882384600661e-35, 3.6081610415621492]])
forces =  [[ 6.53300434e-30  3.84772834e-45  5.79809227e-10]
 [-8.16625542e-31  1.41443693e-30  5.79809227e-10]
 [ 8.16625542e-31 -1.41443693e-30 -5.79814261e-10]
 [-6.53300434e-30 -3.84776187e-45 -5.79814261e-10]]
stress =  [-1.24066293e-11 -1.24066293e-11  1.05330607e-10 -5.92743657e-33
 -1.46666019e-33  4.47487708e-27]
energy per atom =  -18.761019937519848
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is AB_hP4_186_b_b, while relaxed is AB_hP4_194_c_d. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.