element(s):
['Cu']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.6146']
model name:
MEAM_LAMMPS_KimSeolJi_2017_PtCu__MO_070797404269_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cu']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[3.6146, 0, 0], [0, 3.6146, 0], [0, 0, 3.6146]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 20:31:44      -20.571868         5.796247
BFGS:    1 20:31:44      -21.349666         4.598278
BFGS:    2 20:31:44      -21.958157         3.536475
BFGS:    3 20:31:44      -22.416743         2.597399
BFGS:    4 20:31:44      -22.742901         1.768849
BFGS:    5 20:31:44      -22.952368         1.039754
BFGS:    6 20:31:44      -23.059297         0.400073
BFGS:    7 20:31:44      -23.079766         0.041363
BFGS:    8 20:31:44      -23.079999         0.001924
BFGS:    9 20:31:44      -23.080000         0.000010
BFGS:   10 20:31:44      -23.080000         0.000000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.7309766052183888e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cu', 'Cu', 'Cu', 'Cu']
basis =  [[0.0000000e+00 0.0000000e+00 0.0000000e+00]
 [0.0000000e+00 5.0000000e-01 5.0000000e-01]
 [5.0000000e-01 3.9331065e-34 5.0000000e-01]
 [5.0000000e-01 5.0000000e-01 0.0000000e+00]]
cellpar =  Cell([[3.9173715610460897, -8.139529706115117e-33, 2.1290156365581675e-32], [-2.8088324640970985e-32, 3.9173715610460897, 2.0431262542898303e-17], [-1.4079966988049975e-32, 2.0431262542898328e-17, 3.9173715610460897]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.73097661e-10 -1.73097661e-10 -1.73097661e-10  8.59954550e-27
  8.36680591e-36 -3.08726930e-52]
energy per atom =  -5.77000000031033
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0