element(s):
['Cu', 'Zr']
AFLOW prototype label:
AB_cP2_221_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.2717']
model name:
EAM_Dynamo_MendelevKramerOtt_2009_CuZr__MO_600021860456_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cu', 'Zr']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[3.2717, 0, 0], [0, 3.2717, 0], [0, 0, 3.2717]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 11:31:05      -10.038455         0.341811
BFGS:    1 11:31:05      -10.043029         0.282642
BFGS:    2 11:31:05      -10.052377         0.027728
BFGS:    3 11:31:05      -10.052451         0.003580
BFGS:    4 11:31:05      -10.052453         0.000057
BFGS:    5 11:31:05      -10.052453         0.000000
BFGS:    6 11:31:05      -10.052453         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.38813083312357e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cu', 'Zr']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.228568115993403, -9.364830229147202e-33, 1.4878851496149155e-33], [-5.742626805696132e-33, 3.228568115993403, 8.56571417821127e-18], [-4.610549376619282e-34, 8.565714178211273e-18, 3.228568115993403]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 5.38813083e-13  5.38813083e-13  5.38813083e-13 -3.81449350e-30
  2.20158808e-63 -1.08447358e-61]
energy per atom =  -5.026226375266587
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0