element(s):
['Pt']
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:
['3.949']
model name:
QUIP_GAP_Xu_2003_Pt__MO_370837021112_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Pt']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[3.949, 0, 0], [0, 3.949, 0], [0, 0, 3.949]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:42:23      -25.874055         0.146200
BFGS:    1 15:42:23      -25.874834         0.102411
BFGS:    2 15:42:23      -25.875572         0.002045
BFGS:    3 15:42:23      -25.875573         0.000025
BFGS:    4 15:42:23      -25.875573         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.592428237535719e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pt', 'Pt', 'Pt', 'Pt']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[3.9422090124925924, -1.0420557513471136e-33, -5.035512300432696e-34], [1.0423481398360555e-33, 3.9422090124925924, 2.1717180150441217e-20], [1.1955710562770331e-33, 2.171718015044017e-20, 3.9422090124925924]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 3.59242824e-10  3.59242824e-10  3.59242824e-10 -7.98306604e-26
  2.70719705e-31 -8.31541126e-51]
energy per atom =  -0.5804004090234409
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0