element(s):
['Cr', 'Ni']
AFLOW prototype label:
A3B_cF16_225_ac_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.705']
model name:
Sim_LAMMPS_Table_GrogerVitekDlouhy_2020_CoCrFeMnNi__SM_786004631953_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cr', 'Cr', 'Ni']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.25 0.25]
 [0.5  0.5  0.5 ]]
spacegroup =  225
cell =  [[5.705, 0, 0], [0, 5.705, 0], [0, 0, 5.705]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:30:29      -27.502007         0.039065
BFGS:    1 12:30:33      -27.502071         0.037686
BFGS:    2 12:30:36      -27.502927         0.000414
BFGS:    3 12:30:39      -27.502927         0.000004
BFGS:    4 12:30:43      -27.502927         0.000000
Minimization converged after 4 steps.
Maximum force component: 3.966242773861708e-31 eV/Angstrom
Maximum stress component: 4.233115750845287e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Ni', 'Ni', 'Ni', 'Ni']
basis =  [[0.   0.   0.  ]
 [0.   0.5  0.5 ]
 [0.5  0.   0.5 ]
 [0.5  0.5  0.  ]
 [0.25 0.25 0.25]
 [0.75 0.75 0.25]
 [0.75 0.25 0.75]
 [0.25 0.75 0.75]
 [0.25 0.25 0.75]
 [0.75 0.75 0.75]
 [0.25 0.75 0.25]
 [0.75 0.25 0.25]
 [0.5  0.5  0.5 ]
 [0.5  0.   0.  ]
 [0.   0.5  0.  ]
 [0.   0.   0.5 ]]
cellpar =  Cell([[5.699421557631534, 1.4417481303035347e-33, 6.57362826181677e-33], [2.4510229484519526e-32, 5.699421557631534, 3.15658186608034e-21], [9.860318400160619e-33, 3.15658186607313e-21, 5.699421557631534]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-2.48804897e-32  1.53673613e-31  3.96624277e-31]
 [-5.56152123e-32 -1.82944777e-31  2.51732014e-31]
 [-1.05376192e-31  1.71236312e-31 -2.61976921e-31]
 [-8.63499349e-32 -1.99043918e-31  2.66367596e-31]
 [-1.55137171e-31  2.13679500e-31 -3.92233603e-31]
 [-4.53703048e-32 -1.52210055e-31 -3.46863298e-31]
 [-8.19592603e-32 -2.10752384e-31  2.15143058e-31]
 [-1.24402449e-31  1.92778059e-31 -7.90321438e-32]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [ 4.23311575e-11  4.23311575e-11  4.23311575e-11 -5.66631338e-27
  2.52969195e-34  9.16258370e-51]
energy per atom =  -1.7189329408813412
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0