element(s):
['C', 'Pt']
AFLOW prototype label:
AB_hP2_187_a_d
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.0042', '0.95496305']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'Pt']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.5       ]]
spacegroup =  187
cell =  [[3.0042, 0, 0], [-1.5021, 2.6017135180492, 0], [0, 0, 2.8689]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:31:31      -43.334910       26.7038
BFGS:    1 15:31:31      -47.100946       24.9240
BFGS:    2 15:31:31      -50.092488       21.7308
BFGS:    3 15:31:31      -52.193256       16.4403
BFGS:    4 15:31:31      -53.443162        8.7399
BFGS:    5 15:31:31      -53.766734        2.5784
BFGS:    6 15:31:31      -53.788664        0.5047
BFGS:    7 15:31:31      -53.789627        0.0220
BFGS:    8 15:31:31      -53.789629        0.0010
BFGS:    9 15:31:31      -53.789629        0.0001
BFGS:   10 15:31:31      -53.789629        0.0000
Minimization converged after 10 steps.
Maximum force component: 6.95751700800268e-30 eV/Angstrom
Maximum stress component: 2.0992163282343596e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'Pt']
basis =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.5       ]]
cellpar =  Cell([[2.6459101833878136, -1.0421237101184173e-16, -3.50842645829294e-37], [-1.3229550916939068, 2.29142543494579, 1.100690961672186e-36], [-9.153187725350141e-36, 5.07305618639305e-36, 2.756183636583049]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 6.95751701e-30 -2.41015459e-30 -1.89576555e-66]]
stress =  [-1.07767780e-10 -1.07767780e-10 -2.09921633e-10 -6.50556957e-34
 -1.12679770e-33 -5.64581965e-27]
energy per atom =  -26.894814595719467
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0