element(s):
['Cr']
AFLOW prototype label:
A_cP8_223_ac
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
2
Parameter values for parameter set 0:
['4.577']
Parameter values for parameter set 1:
['5.5603']
model name:
MEAM_LAMMPS_LeeBaskesKim_2001_Cr__MO_134550636109_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cr', 'Cr']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.   0.5 ]]
spacegroup =  223
cell =  [[4.577, 0, 0], [0, 4.577, 0], [0, 0, 4.577]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:20:22      -33.556335         0.194306
BFGS:    1 15:20:22      -33.557888         0.178508
BFGS:    2 15:20:22      -33.566422         0.004164
BFGS:    3 15:20:22      -33.566427         0.000092
BFGS:    4 15:20:22      -33.566427         0.000000
BFGS:    5 15:20:22      -33.566427         0.000000
Minimization converged after 5 steps.
Maximum force component: 5.666204713502704e-32 eV/Angstrom
Maximum stress component: 4.714421724224012e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr']
basis =  [[0.   0.   0.  ]
 [0.5  0.5  0.5 ]
 [0.25 0.   0.5 ]
 [0.75 0.   0.5 ]
 [0.5  0.25 0.  ]
 [0.5  0.75 0.  ]
 [0.   0.5  0.25]
 [0.   0.5  0.75]]
cellpar =  Cell([[4.596971395896144, 4.915550017460441e-33, -1.9007166919332734e-33], [-3.57542686375308e-33, 4.596971395896144, -4.7652790411521666e-20], [-8.952996768115036e-33, -4.765279041151229e-20, 4.596971395896144]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-4.13160760e-33 -3.77746981e-32  3.91577327e-52]
 [-9.56047395e-65  2.83310236e-32  3.77746981e-32]
 [ 1.88873490e-32  1.95788663e-52 -1.88873490e-32]
 [ 5.66620471e-32  4.72183726e-33 -5.66620471e-32]
 [-5.66620471e-32  4.89471659e-53 -4.72183726e-33]
 [-4.72183726e-32  3.77746981e-32 -3.91577327e-52]]
stress =  [-4.71442172e-14 -4.71442172e-14 -4.71442172e-14 -1.00189581e-29
 -2.43033205e-34 -2.90672266e-50]
energy per atom =  -4.195803402798378
===============================================
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cr', 'Cr']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.   0.5 ]]
spacegroup =  223
cell =  [[5.5603, 0, 0], [0, 5.5603, 0], [0, 0, 5.5603]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:20:24      -22.596917         3.421433
BFGS:    1 15:20:24      -23.100089         3.440861
BFGS:    2 15:20:24      -23.617420         3.456060
BFGS:    3 15:20:24      -24.136648         3.466085
BFGS:    4 15:20:24      -24.656963         3.470456
BFGS:    5 15:20:24      -25.177477         3.468663
BFGS:    6 15:20:24      -25.697226         3.460162
BFGS:    7 15:20:24      -26.215161         3.444374
BFGS:    8 15:20:24      -26.730143         3.420683
BFGS:    9 15:20:24      -27.240938         3.388431
BFGS:   10 15:20:24      -27.746210         3.346921
BFGS:   11 15:20:24      -28.244514         3.295410
BFGS:   12 15:20:24      -28.734293         3.233109
BFGS:   13 15:20:24      -29.213865         3.159179
BFGS:   14 15:20:24      -29.681421         3.072729
BFGS:   15 15:20:24      -30.135011         2.972813
BFGS:   16 15:20:24      -30.572541         2.858426
BFGS:   17 15:20:24      -30.991762         2.728502
BFGS:   18 15:20:24      -31.390259         2.581909
BFGS:   19 15:20:24      -31.765441         2.417446
BFGS:   20 15:20:24      -32.114535         2.233841
BFGS:   21 15:20:24      -32.434569         2.029743
BFGS:   22 15:20:24      -32.722362         1.803723
BFGS:   23 15:20:24      -32.974514         1.554263
BFGS:   24 15:20:24      -33.187389         1.279757
BFGS:   25 15:20:24      -33.357104         0.978504
BFGS:   26 15:20:24      -33.479513         0.648701
BFGS:   27 15:20:24      -33.550191         0.288441
BFGS:   28 15:20:24      -33.566326         0.023310
BFGS:   29 15:20:24      -33.566427         0.000744
BFGS:   30 15:20:24      -33.566427         0.000002
BFGS:   31 15:20:24      -33.566427         0.000000
Minimization converged after 31 steps.
Maximum force component: 3.777469808991596e-32 eV/Angstrom
Maximum stress component: 9.801818015907971e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr']
basis =  [[0.   0.   0.  ]
 [0.5  0.5  0.5 ]
 [0.25 0.   0.5 ]
 [0.75 0.   0.5 ]
 [0.5  0.25 0.  ]
 [0.5  0.75 0.  ]
 [0.   0.5  0.25]
 [0.   0.5  0.75]]
cellpar =  Cell([[4.596971395883723, -5.804840016208847e-32, 1.2484087767989342e-32], [-7.45445009127427e-32, 4.596971395883723, 5.5576155603452474e-18], [3.342434379861113e-33, 5.55761556034526e-18, 4.596971395883723]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 2.59701049e-32 -1.88873490e-32 -3.77746981e-32]
 [-2.78811515e-64  1.88873490e-32  3.77746981e-32]
 [-3.77746981e-32 -4.56686004e-50 -3.77746981e-32]
 [ 3.77746981e-32 -4.72183726e-33  3.77746981e-32]
 [-3.77746981e-32 -3.77746981e-32  4.72183726e-33]
 [ 3.77746981e-32  3.77746981e-32  4.56686004e-50]]
stress =  [-9.80181802e-12 -9.80181802e-12 -9.80181802e-12  4.34711784e-28
 -8.50616219e-35  2.06976068e-51]
energy per atom =  -4.195803402798375
===============================================
Parameter sets [0, 1] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0