summaryrefslogtreecommitdiff
path: root/sim/src/tests/minimize/test_0011.out
blob: 9b747b018cebd4eafb672d651acf7d1fb9063d8c (plain)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
======= test_0011.test =======
======= exitvalue =======
0
======= stderr =======
cutover to fine tolerance at 2
======= stdout =======
iters per frame = 10
number of frames = 100
timestep = 1.000000e-16
temp = 0.000000
dump as text
< test_0011.mmp  > test_0011.xyz
final RMS gradient=3088.163537 after 5 iterations
======= test_0011.trc =======
# nanoENGINEER-1.com Simulator Trace File, Version 050310
#
# Date and Time: Mon Nov 21 18:46:01 2005
# Input File:test_0011.mmp
# Output File: test_0011.xyz
# Trace File: test_0011.trc
# Number of Atoms: 15
# Number of Frames: 100
# Steps per Frame: 10
# Temperature: 300.0
#
# 0 columns:
#
0 3141.31 3508.14
1 3091.14 3465.47
2 3088.33 3463.03
3 3088.17 3462.89
4 3088.16 3462.88
5 3088.16 3462.88
# Done: Minimization final rms: 3088.163537, highForce: 3462.884504
======= test_0011.xyz =======
15
RMS=3088.163537
C -2.742203 -1.033957 -0.087676
X -2.527794 -0.535690 0.457268
X -3.420376 -1.347225 0.100024
C -2.873257 -0.296722 -1.434100
X -2.763845 0.456423 -1.324901
X -3.576379 -0.416166 -1.724167
C -1.681713 -2.145181 -0.213062
X -1.128670 -2.032848 0.311219
X -2.013207 -2.830379 -0.095122
C -1.814774 -0.831214 -2.417241
X -1.326625 -0.264749 -2.600952
X -2.163223 -1.087233 -3.055270
C -1.051050 -2.048037 -1.690823
X -1.167229 -2.712274 -2.063241
X -0.294656 -1.910749 -1.638958