element(s):
['Cr', 'Ni']
AFLOW prototype label:
A3B_cP4_221_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.5867']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cr', 'Ni']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[3.5867, 0, 0], [0, 3.5867, 0], [0, 0, 3.5867]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:05:51      -49.568335        19.477305
BFGS:    1 16:05:51      -51.906434        11.999603
BFGS:    2 16:05:52      -53.242138         6.105542
BFGS:    3 16:05:52      -53.792171         1.418788
BFGS:    4 16:05:52      -53.828879         0.213169
BFGS:    5 16:05:52      -53.829770         0.009352
BFGS:    6 16:05:52      -53.829772         0.000066
BFGS:    7 16:05:53      -53.829772         0.000000
BFGS:    8 16:05:53      -53.829772         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 9.245524144316486e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Ni']
basis =  [[0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 6.19077717e-17 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 6.19077717e-17]
 [4.06522706e-65 6.19077717e-17 6.19077717e-17]]
cellpar =  Cell([[3.7372840808253023, 4.673786277317864e-32, -3.2442517121075956e-32], [-1.4760781176004922e-32, 3.7372840808253023, 3.220558414341429e-18], [-3.1128261656763837e-32, 3.2205584143413963e-18, 3.7372840808253023]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-9.24552414e-15 -9.24552414e-15 -9.24552414e-15 -2.46168255e-30
  1.17664912e-33  2.60903305e-49]
energy per atom =  -13.45744295463516
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0