element(s):
['Ta']
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:
['4.2656']
model name:
Sim_LAMMPS_MEAM_GaoOterodelaRozaAouadi_2013_AgTaO__SM_485325656366_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ta']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[4.2656, 0, 0], [0, 4.2656, 0], [0, 0, 4.2656]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:17:34      -31.172137         0.925769
BFGS:    1 15:17:34      -31.203624         0.662895
BFGS:    2 15:17:34      -31.238250         0.038216
BFGS:    3 15:17:34      -31.238372         0.001721
BFGS:    4 15:17:34      -31.238372         0.000005
BFGS:    5 15:17:34      -31.238372         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.034488404233895e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ta', 'Ta', 'Ta', 'Ta']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [2.68468857e-69 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 4.29550171e-69 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.31754705828953, 3.204289624508906e-104, -2.950010730315108e-52], [-2.579362821909944e-53, 4.31754705828953, -2.4505506023495158e-52], [-1.4309886901611231e-53, -2.7088427161216617e-52, 4.31754705828953]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.03448840e-11 -3.03448840e-11 -3.03448840e-11  2.82489403e-27
  4.96896474e-80  5.69168062e-80]
energy per atom =  -7.809593015345873
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0