element(s):
['Ta']
AFLOW prototype label:
A_tP4_127_g
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.3819', '0.50872368', '0.28968096']
model name:
Sim_LAMMPS_Hybrid_DuanXieGuo_2019__SM_016305073020_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ta']
representative atom coordinates =  [[0.28968096 0.78968096 0.        ]]
spacegroup =  127
cell =  [[5.3819, 0, 0], [0, 5.3819, 0], [0, 0, 2.7379]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:45:40       -0.017860        0.0073
BFGS:    1 17:45:40       -0.017863        0.0073
BFGS:    2 17:45:40       -0.018794        0.0044
BFGS:    3 17:45:40       -0.019316        0.0025
BFGS:    4 17:45:40       -0.019392        0.0016
BFGS:    5 17:45:40       -0.019459        0.0014
BFGS:    6 17:45:40       -0.019458        0.0013
BFGS:    7 17:45:40       -0.019458        0.0013
BFGS:    8 17:45:40       -0.019458        0.0013
BFGS:    9 17:45:40       -0.019459        0.0013
BFGS:   10 17:45:40       -0.019460        0.0013
BFGS:   11 17:45:40       -0.019249        0.0014
BFGS:   12 17:45:40       -0.019255        0.0021
BFGS:   13 17:45:40       -0.019285        0.0019
BFGS:   14 17:45:40       -0.019634        0.0012
BFGS:   15 17:45:40       -0.020039        0.0013
BFGS:   16 17:45:40       -0.020189        0.0013
BFGS:   17 17:45:40       -0.020223        0.0008
BFGS:   18 17:45:40       -0.020007        0.0007
BFGS:   19 17:45:40       -0.020004        0.0008
BFGS:   20 17:45:40       -0.020005        0.0008
BFGS:   21 17:45:40       -0.020005        0.0008
BFGS:   22 17:45:40       -0.020006        0.0008
BFGS:   23 17:45:40       -0.020007        0.0007
BFGS:   24 17:45:40       -0.020009        0.0007
BFGS:   25 17:45:40       -0.020012        0.0006
BFGS:   26 17:45:40       -0.020236        0.0006
BFGS:   27 17:45:40       -0.020286        0.0009
BFGS:   28 17:45:40       -0.020299        0.0002
BFGS:   29 17:45:40       -0.020300        0.0001
BFGS:   30 17:45:40       -0.020301        0.0000
BFGS:   31 17:45:40       -0.020301        0.0000
BFGS:   32 17:45:40       -0.020301        0.0000
BFGS:   33 17:45:40       -0.020301        0.0000
BFGS:   34 17:45:40       -0.020301        0.0000
BFGS:   35 17:45:40       -0.020301        0.0000
BFGS:   36 17:45:40       -0.020301        0.0000
Minimization converged after 36 steps.
Maximum force component: 6.423066221690843e-10 eV/Angstrom
Maximum stress component: 4.9630580666073436e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ta', 'Ta', 'Ta', 'Ta']
basis =  [[3.15385142e-01 8.15385142e-01 2.16802737e-32]
 [6.84614858e-01 1.84614858e-01 3.79404789e-33]
 [1.84614858e-01 3.15385142e-01 5.42006842e-33]
 [8.15385142e-01 6.84614858e-01 0.00000000e+00]]
cellpar =  Cell([[5.557323514337239, -6.206822291142592e-36, -8.192947684828836e-32], [-3.6007725279044475e-36, 5.557323514337238, 6.116458551207886e-17], [-4.743349766498474e-32, 3.112499425529348e-17, 2.842665140460714]])
forces =  [[-6.42306622e-10 -6.42306622e-10 -7.06930561e-27]
 [ 6.42306622e-10  6.42306622e-10  7.06930561e-27]
 [ 6.42306622e-10 -6.42306622e-10 -7.06930561e-27]
 [-6.42306622e-10  6.42306622e-10  7.06930561e-27]]
stress =  [ 4.96305807e-11  4.96305807e-11  4.93625539e-11 -2.69280273e-26
  6.12634804e-43  1.56995372e-60]
energy per atom =  -0.005075250822057005
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0