element(s):
['P']
AFLOW prototype label:
A_cP1_221_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.442']
model name:
Sim_LAMMPS_Vashishta_BranicioRinoGan_2009_InP__SM_090647175366_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['P']
representative atom coordinates =  [[0 0 0]]
spacegroup =  221
cell =  [[2.442, 0, 0], [0, 2.442, 0], [0, 0, 2.442]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:09:20       26.585094        46.368389
BFGS:    1 15:09:20       20.643305        33.677353
BFGS:    2 15:09:20       16.300483        24.733564
BFGS:    3 15:09:20       13.036647        19.079809
BFGS:    4 15:09:20       10.503771        14.890437
BFGS:    5 15:09:20        8.517222        11.781882
BFGS:    6 15:09:20        6.930854         9.462630
BFGS:    7 15:09:20        5.654746         7.619180
BFGS:    8 15:09:20        4.627818         6.122701
BFGS:    9 15:09:20        3.799155         5.008155
BFGS:   10 15:09:20        3.114550         4.145185
BFGS:   11 15:09:20        2.548921         3.416146
BFGS:   12 15:09:20        2.084474         2.791993
BFGS:   13 15:09:20        1.707151         2.251457
BFGS:   14 15:09:20        1.405655         1.778683
BFGS:   15 15:09:20        1.169798         1.412385
BFGS:   16 15:09:20        0.971890         1.230328
BFGS:   17 15:09:20        0.799627         1.069768
BFGS:   18 15:09:20        0.650069         0.927043
BFGS:   19 15:09:20        0.520766         0.799295
BFGS:   20 15:09:20        0.409646         0.684264
BFGS:   21 15:09:20        0.314942         0.580139
BFGS:   22 15:09:21        0.235132         0.485454
BFGS:   23 15:09:21        0.168894         0.399005
BFGS:   24 15:09:21        0.115069         0.319795
BFGS:   25 15:09:21        0.072636         0.246989
BFGS:   26 15:09:21        0.040687         0.179883
BFGS:   27 15:09:21        0.018416         0.117874
BFGS:   28 15:09:21        0.005096         0.060447
BFGS:   29 15:09:21        0.000075         0.007156
BFGS:   30 15:09:21        0.000000         0.000293
BFGS:   31 15:09:21        0.000000         0.000001
BFGS:   32 15:09:21       -0.000000         0.000000
Minimization converged after 32 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.550061213017802e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['P']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[5.999999999250417, 4.31820085898298e-32, 2.444345542175669e-32], [1.1328661511479747e-31, 5.999999999250417, -3.191152219284522e-16], [-1.281884206875536e-31, -3.1911522192845215e-16, 5.999999999250417]])
forces =  [[0. 0. 0.]]
stress =  [-3.55006121e-12 -3.55006121e-12 -3.55006121e-12 -3.57380329e-28
 -3.31445845e-45  7.26897526e-60]
energy per atom =  -1.3322676295501878e-15
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0