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:
Sim_LAMMPS_Polymorphic_Zhou_2004_CuTa__SM_453737875254_000
==== 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 15:11:23      -14.159978         0.003040
BFGS:    1 15:11:23      -14.159978         0.002708
BFGS:    2 15:11:23      -14.159980         0.000001
BFGS:    3 15:11:23      -14.159980         0.000000
Minimization converged after 3 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.7598049498034416e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cu', 'Cu', 'Cu', 'Cu']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [9.46383592e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.61496000076049, -3.58720853164548e-33, 6.131058759264823e-34], [-3.977938742128091e-33, 3.61496000076049, -1.7758881501808903e-23], [1.2222532839026569e-34, -1.775888150219967e-23, 3.61496000076049]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.75980495e-11 -4.75980495e-11 -4.75980495e-11  2.64605838e-28
  2.45630472e-35 -6.20145678e-53]
energy per atom =  -3.5399949527948524
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0