[gmx-users] Simple L-J Particles' simulation

[Albert Sun]

Albert Sun <albert_sun9 at yahoo.com> wrote:Dear Users,

A few weeks ago, I got files from Dr. David van der Spoel on  a simple L-J problem " argon". They worked well. 

Then I created a new .gro file (as attached) and used same top and mdp files from Dr. David.

However, when I started mdrun,  it stopped there,  I checked that the .trr had no output.

I minimised the system erergy one or  two times respectively before run mdrun, it has same problem.

"Back Off! I just backed up ener.edr to ./#ener.edr.2#

Group 0 ( topatom) has 3 elements

Group 1 ( botatom) has 3 elements

Group 2 ( System) has 100 elements

Group 3 ( argon) has 94 elements

Select a group: 2

starting mdrun 'Argon'

5000 steps, 10.0 ps  "

No reuslts come out

Would greatly appreciate if you could advise me what could cause this problem.
Thanks in advance
 


David <spoel at xray.bmc.uu.se> wrote: 
On Wed, 2003-09-24 at 18:04, Albert Sun wrote:
> Dear Groeten, David and Gmx-users,
> I have a few stupid questions:
> How to simulate simple Lennard Jones particles in Gromacs? 
> In .top file, we don't need input bond and angle data, is it right?
> How to specify force field in .top file

here's an example from the gmx testset.

> 
> Greatly appreciate your clarification.
> 
> Thanks 
> 
> Albert
> Albert Sun wrote: 
> Dear David and Gmx-users,
> I have a few stupid questions:
> How to simulate simple Lennard Jones particles in Gromacs? 
> In .top file, we don't need input bond and angle data, is it
> right?
> How to specify force field in .top file?
> 
> Greatly appreciate your clarification.
> 
> Thanks 
> 
> Albert
> Albert Sun wrote:
> Dear Groeten, David
> How to start simple Lennard Jones particles in
> Gromacs?
> by specify force field: ffgmx
> thanks!
> 
> Albert
> 
> David wrote:
> On Sat, 2003-09-20 at 21:09, Albert Sun wrote:
> > Hi, Dear Anton,
> > Atoms exploded problem still remains, when I
> view .trr file by VMD,
> > all atoms suddenly disappear.
> > I tried ngmx, it had error: float exception.
> > I tried trjconv -dump, it showed warning:
> "no output, trajectory ended
> > at 3" 
> > 
> > could you give me more hints ? 
> 
> 
> It seems to me that you have just a weird
> system with all atoms placed
> in a plane, and large forces between them.
> 
> If you intend to simulate some sort of two
> dimensional crystal, you
> should probably start with simple Lennard
> Jones particles.
> -- 
> Groeten, David.
> ________________________________________________________________________
> Dr. David van der Spoel, Dept. of Cell and
> Molecular Biology
> Husargatan 3, Box 596, 75124 Uppsala, Sweden
> phone: 46 18 471 4205 fax : 46 18 511 755
> spoel at xray.bmc.uu.se spoel at gromacs.org
> http://xray.bmc.uu.se/~spoel
> ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
> > ______________________________________________________
> 

++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Argon
125
1Argon AR 1 4.895 1.092 4.682 -1.1326 1.5028 -0.3139
2Argon AR 2 1.156 0.524 1.448 1.2795 -0.2792 0.8730
3Argon AR 3 0.985 2.029 2.012 1.7219 -0.7373 -1.1915
4Argon AR 4 4.924 0.489 3.687 -0.5243 2.0315 -0.3342
5Argon AR 5 0.464 1.205 3.037 -0.6154 0.8562 -0.4888
6Argon AR 6 1.330 2.145 0.086 -0.4231 -0.7396 0.5885
7Argon AR 7 0.460 1.527 1.252 0.2134 0.1881 -0.0428
8Argon AR 8 0.591 4.622 2.154 -0.1886 0.5678 0.9706
9Argon AR 9 1.235 0.835 3.569 -0.0540 0.7621 0.2812
10Argon AR 10 4.860 2.987 4.888 0.7087 0.8855 -0.0666
11Argon AR 11 1.808 3.150 0.377 1.0813 -0.0937 -0.2159
12Argon AR 12 0.943 2.452 0.967 -1.2118 0.9035 0.1153
13Argon AR 13 0.544 3.039 2.228 -0.4095 1.2861 -0.7635
14Argon AR 14 5.040 1.969 2.361 -2.3891 -0.7822 -0.2271
15Argon AR 15 3.960 4.501 0.337 -0.9374 -0.6907 1.0124
16Argon AR 16 1.172 3.746 0.959 0.1516 -0.1523 0.4900
17Argon AR 17 2.280 3.868 1.392 0.1532 0.2206 0.4628
18Argon AR 18 1.233 3.746 2.096 1.6713 0.7138 1.8370
19Argon AR 19 5.024 2.452 3.417 0.2566 -0.2714 -0.0202
20Argon AR 20 0.175 3.430 3.782 -0.1056 1.4345 0.2331
21Argon AR 21 2.726 1.305 0.712 -0.0390 -1.5948 -0.5293
22Argon AR 22 0.207 3.874 1.631 -2.4302 -0.0397 1.9954
23Argon AR 23 0.285 4.788 3.105 0.2782 0.9295 0.2530
24Argon AR 24 1.176 2.816 4.145 -0.1406 0.4559 -1.2429
25Argon AR 25 4.318 4.740 4.495 0.5516 0.4663 2.1848
26Argon AR 26 1.864 4.798 4.629 1.5901 -1.5084 0.3228
27Argon AR 27 0.344 0.831 0.485 -0.3221 1.4094 1.0212
28Argon AR 28 2.268 0.316 3.079 -0.7959 1.1356 1.9309
29Argon AR 29 2.107 4.413 2.785 -0.7391 -0.3921 0.0283
30Argon AR 30 0.965 0.165 4.325 0.0312 0.3614 0.0970
31Argon AR 31 2.238 1.695 4.984 0.2919 -0.8347 -0.7021
32Argon AR 32 1.341 1.176 0.676 0.8544 0.2996 -0.6172
33Argon AR 33 0.908 2.289 3.208 0.5111 0.0979 1.3060
34Argon AR 34 1.847 0.781 4.379 1.4208 0.4866 0.5295
35Argon AR 35 0.366 2.406 4.456 -0.1472 0.4125 1.2066
36Argon AR 36 2.901 2.956 1.493 1.2892 -0.6305 1.0128
37Argon AR 37 5.058 2.524 1.464 0.0022 -1.7319 -0.4964
38Argon AR 38 2.803 2.480 3.679 -0.0907 1.2107 -1.8332
39Argon AR 39 1.886 2.325 3.241 0.6276 -1.8375 -0.8451
40Argon AR 40 0.836 3.294 4.991 0.6273 0.7660 -1.3883
41Argon AR 41 2.035 4.724 0.719 0.3153 0.4792 2.2771
42Argon AR 42 2.171 3.352 2.458 0.5924 -0.7270 -0.6602
43Argon AR 43 1.658 3.025 1.570 1.8708 0.4716 -0.1615
44Argon AR 44 2.015 3.318 3.592 -1.1776 -2.0891 -1.6319
45Argon AR 45 1.019 4.226 0.114 -1.4335 -0.0953 -0.5499
46Argon AR 46 1.621 4.722 1.731 0.3118 0.2862 0.9394
47Argon AR 47 1.236 0.209 2.570 -0.3800 0.3034 -0.2262
48Argon AR 48 1.107 3.405 3.175 0.7078 0.6353 -0.2058
49Argon AR 49 1.036 3.980 4.023 -0.7442 0.3863 0.5171
50Argon AR 50 4.942 3.959 0.028 -0.4945 -0.5427 -0.3578
51Argon AR 51 2.750 2.001 1.596 0.2617 0.0781 -1.1608
52Argon AR 52 1.769 1.280 1.829 1.0091 -0.0491 -1.7755
53Argon AR 53 3.892 0.147 2.244 0.0665 0.3800 -0.2316
54Argon AR 54 1.322 4.776 3.451 -0.7496 -0.7912 1.4578
55Argon AR 55 0.376 1.468 3.935 -0.6509 -1.8500 -0.8614
56Argon AR 56 2.728 2.508 0.449 0.9513 1.5416 -0.5461
57Argon AR 57 1.976 1.948 0.960 0.5224 -0.5848 -0.3202
58Argon AR 58 1.479 1.402 2.795 0.0270 1.0455 0.6138
59Argon AR 59 2.326 4.300 3.837 -0.5198 1.0516 -0.3477
60Argon AR 60 1.583 1.807 4.061 0.5585 -0.0307 -1.4619
61Argon AR 61 3.630 2.633 0.831 -2.7969 0.6538 -1.5914
62Argon AR 62 2.044 2.243 2.243 -0.4373 -2.1214 2.6278
63Argon AR 63 4.021 3.213 3.358 -0.0751 1.9466 -1.6609
64Argon AR 64 2.475 1.342 3.562 -0.0774 -1.2108 0.4061
65Argon AR 65 2.641 3.753 0.327 -0.3352 1.0297 0.1584
66Argon AR 66 2.921 4.776 4.908 -0.7096 0.6935 -0.4993
67Argon AR 67 3.117 4.647 0.831 0.3148 0.2864 -0.8219
68Argon AR 68 3.055 3.628 3.135 1.7630 2.2576 0.7552
69Argon AR 69 3.159 2.021 4.795 0.7280 1.8829 0.3458
70Argon AR 70 2.079 2.608 4.588 -0.9824 0.5748 1.0455
71Argon AR 71 3.146 0.714 1.366 0.1684 -0.5257 1.2033
72Argon AR 72 3.148 3.803 1.998 0.4269 -1.2197 -0.2678
73Argon AR 73 3.051 4.715 2.822 -0.0300 -1.2029 -0.5454
74Argon AR 74 1.833 3.775 4.732 -1.2605 -0.6808 0.2866
75Argon AR 75 2.146 0.441 1.263 0.3308 -0.4730 -1.2353
76Argon AR 76 3.897 1.349 0.074 0.8640 -0.4883 -1.2810
77Argon AR 77 2.568 0.909 2.276 -1.3364 -0.5167 0.5504
78Argon AR 78 0.750 4.609 1.037 1.6011 -0.0479 0.4901
79Argon AR 79 3.895 5.063 3.489 -0.3064 -0.0822 1.2432
80Argon AR 80 0.960 1.168 4.821 1.1169 -1.3025 0.0374
81Argon AR 81 4.374 2.044 4.610 0.5650 -0.3312 -0.1887
82Argon AR 82 2.845 1.989 2.744 1.0250 -0.9478 -0.2386
83Argon AR 83 3.488 1.355 2.174 -0.7045 0.7480 -0.7522
84Argon AR 84 3.232 0.861 3.156 1.1879 -0.9798 -0.4548
85Argon AR 85 2.864 1.026 4.414 -1.0152 0.4205 -1.3106
86Argon AR 86 4.426 3.428 0.770 -0.8505 1.5544 0.3785
87Argon AR 87 3.404 2.895 2.547 -0.4559 0.2936 -0.2803
88Argon AR 88 4.603 1.115 2.034 0.6018 1.7600 -0.7041
89Argon AR 89 3.557 1.675 3.847 -0.6226 -1.2764 0.5321
90Argon AR 90 3.600 3.419 0.075 0.6881 0.2689 0.9736
91Argon AR 91 3.401 3.726 0.994 -0.6749 -0.7556 0.0629
92Argon AR 92 0.192 5.090 5.003 -0.0606 -1.0682 0.0510
93Argon AR 93 4.005 3.979 2.602 -0.6517 -1.4648 0.7342
94Argon AR 94 2.751 3.291 4.345 0.5387 0.1697 0.2571
95Argon AR 95 4.751 4.548 0.992 -1.5935 0.0305 -1.0997
96Argon AR 96 4.057 3.097 1.700 -0.1356 -0.5532 1.4938
97Argon AR 97 2.915 4.913 1.863 -0.6477 -0.2058 1.1749
98Argon AR 98 0.051 0.314 1.455 1.1463 -0.2553 -0.8920
99Argon AR 99 3.297 4.171 3.920 1.1921 -0.5417 -0.1280
100Argon AR 100 2.201 0.559 0.145 -2.1546 0.9850 -0.8281
101Argon AR 101 0.404 1.902 0.234 0.2684 1.4864 0.2678
102Argon AR 102 4.559 1.295 0.795 -0.8185 0.1854 3.4100
103Argon AR 103 4.678 4.559 2.114 -0.2692 0.4273 0.7147
104Argon AR 104 4.473 4.143 3.553 1.5132 0.6999 0.9178
105Argon AR 105 2.652 0.131 3.984 0.5066 -0.9274 0.2481
106Argon AR 106 4.582 2.308 0.634 -1.1833 -0.7555 0.5142
107Argon AR 107 3.620 1.557 1.056 -1.7076 -0.3213 -0.1657
108Argon AR 108 4.164 0.485 1.211 -0.6023 1.7699 -0.3569
109Argon AR 109 5.026 0.385 2.563 0.8574 -0.1411 -0.3869
110Argon AR 110 3.964 0.708 4.178 2.3516 -0.4632 -1.6643
111Argon AR 111 0.277 3.188 0.772 -1.5788 -1.8541 -1.1427
112Argon AR 112 4.168 2.084 1.670 0.4183 -0.6446 -1.1332
113Argon AR 113 0.614 1.006 2.078 0.3018 0.6311 -1.0163
114Argon AR 114 4.244 0.910 3.035 1.3939 -0.9413 -1.2160
115Argon AR 115 4.535 1.571 3.764 -0.2376 -1.2259 -1.2002
116Argon AR 116 4.307 0.407 0.122 -0.2502 1.7650 -0.2933
117Argon AR 117 1.214 0.252 0.313 -2.0761 -0.1607 0.1805
118Argon AR 118 4.591 2.945 2.467 -1.4596 -1.4980 0.5959
119Argon AR 119 4.101 2.120 2.835 2.4606 0.9035 0.7012
120Argon AR 120 3.740 2.689 4.154 -0.1941 -0.6392 0.4762
121Argon AR 121 3.318 0.461 0.368 0.7086 0.9908 -1.8400
122Argon AR 122 3.886 4.465 1.572 0.6610 -1.2269 -0.7330
123Argon AR 123 0.023 3.795 2.729 0.3992 -2.3672 0.3457
124Argon AR 124 4.287 3.674 4.386 0.4761 -0.8819 -0.9774
125Argon AR 125 0.185 4.445 4.270 -1.9450 0.9183 0.9863
5.10000 5.10000 5.10000
; Argon

[ defaults ]
; nb-function combinationrule
1 2

[ atomtypes ]
; type mass charge ptype sig eps
AR 1.0 0.0 A 1.0 1.0 

[ moleculetype ]
; molname nrexcl
Argon 1

[ atoms ]
; id at type res nr residu name at name cg nr
1 AR 1 Argon AR 1 

[ system ]
; systemname
Argon

[ molecules ]
; molecule number
Argon 125
;Argon 2

;
; File 'mdout.mdp' was generated
; By user: spoel (500)
; On host: h140n2fls34o1123.telia.com
; At date: Thu May 8 10:57:52 2003
;

; VARIOUS PREPROCESSING OPTIONS
title = Yo
cpp = /lib/cpp
include = 
define = 

; RUN CONTROL PARAMETERS
integrator = md
; start time and timestep in ps
tinit = 0.0
dt = 0.002
nsteps = 100
; after checkpoint or tpbconv restart we can start on step > 0
init_step = 0
; mode for center of mass motion removal
comm-mode = Linear
; number of steps for center of mass motion removal
nstcomm = 1
; group(s) for center of mass motion removal
comm-grps = 

; LANGEVIN DYNAMICS OPTIONS
; Temperature, friction coefficient (amu/ps) and random seed
bd-temp = 300
bd-fric = 0
ld_seed = 1993

; ENERGY MINIMIZATION OPTIONS
; Force tolerance and initial step-size
emtol = 0.001
emstep = 0.1
; Max number of iterations in relax_shells
niter = 100
; Step size (1/ps^2) for minimization of flexible constraints
fcstep = 0
; Frequency of steepest descents steps when doing CG
nstcgsteep = 1000

; OUTPUT CONTROL OPTIONS
; Output frequency for coords (x), velocities (v) and forces (f)
nstxout = 0
nstvout = 0
nstfout = 0
; Checkpointing helps you continue after crashes
nstcheckpoint = 1000
; Output frequency for energies to log file and energy file
nstlog = 0
nstenergy = 1
; Output frequency and precision for xtc file
nstxtcout = 0
xtc_precision = 1000
; This selects the subset of atoms for the xtc file. You can
; select multiple groups. By default all atoms will be written.
xtc-grps = 
; Selection of energy groups
energygrps = Argon

; NEIGHBORSEARCHING PARAMETERS
; nblist update frequency
nstlist = 1
; ns algorithm (simple or grid)
ns_type = simple
; Periodic boundary conditions: xyz or no
pbc = xyz
; nblist cut-off 
rlist = 2.5
domain-decomposition = no

; OPTIONS FOR ELECTROSTATICS AND VDW
; Method for doing electrostatics
coulombtype = Cut-off
rcoulomb-switch = 0
rcoulomb = 2.5
; Dielectric constant (DC) for cut-off or DC of reaction field
epsilon_r = 1
; Method for doing Van der Waals
vdw-type = Cut-off
; cut-off lengths 
rvdw-switch = 0
rvdw = 2.5
; Apply long range dispersion corrections for Energy and Pressure
DispCorr = No
; Spacing for the PME/PPPM FFT grid
fourierspacing = 0.12
; FFT grid size, when a value is 0 fourierspacing will be used
fourier_nx = 10
fourier_ny = 10
fourier_nz = 10
; EWALD/PME/PPPM parameters
pme_order = 4
ewald_rtol = 1e-05
ewald_geometry = 3d
epsilon_surface = 0
optimize_fft = no

; GENERALIZED BORN ELECTROSTATICS
; Algorithm for calculating Born radii
gb_algorithm = Still
; Frequency of calculating the Born radii inside rlist
nstgbradii = 1
; Cutoff for Born radii calculation; the contribution from atoms
; between rlist and rgbradii is updated every nstlist steps
rgbradii = 2
; Salt concentration in M for Generalized Born models
gb_saltconc = 0

; IMPLICIT SOLVENT (for use with Generalized Born electrostatics)
implicit_solvent = No

; OPTIONS FOR WEAK COUPLING ALGORITHMS
; Temperature coupling 
tcoupl = no
; Groups to couple separately
tc-grps = Argon
; Time constant (ps) and reference temperature (K)
tau_t = 0.1
ref_t = 120
; Pressure coupling 
Pcoupl = no
Pcoupltype = Isotropic
; Time constant (ps), compressibility (1/bar) and reference P (bar)
tau_p = 1.0
compressibility = 
ref_p = 1.0
; Random seed for Andersen thermostat
andersen_seed = 815131

; SIMULATED ANNEALING 
; Type of annealing for each temperature group (no/single/periodic)
annealing = no
; Number of time points to use for specifying annealing in each group
annealing_npoints = 
; List of times at the annealing points for each group
annealing_time = 
; Temp. at each annealing point, for each group.
annealing_temp = 

; GENERATE VELOCITIES FOR STARTUP RUN
gen_vel = no
gen_temp = 120
gen_seed = 173529

; OPTIONS FOR BONDS 
constraints = none
; Type of constraint algorithm
constraint_algorithm = Lincs
; Do not constrain the start configuration
unconstrained_start = no
; Use successive overrelaxation to reduce the number of shake iterations
Shake-SOR = no
; Relative tolerance of shake
shake_tol = 0.0001
; Highest order in the expansion of the constraint coupling matrix
lincs_order = 4
; Number of iterations in the final step of LINCS. 1 is fine for
; normal simulations, but use 2 to conserve energy in NVE runs.
; For energy minimization with constraints it should be 4 to 8.
lincs-iter = 1
; Lincs will write a warning to the stderr if in one step a bond
; rotates over more degrees than
lincs_warnangle = 30
; Convert harmonic bonds to morse potentials
morse = no

; ENERGY GROUP EXCLUSIONS
; Pairs of energy groups for which all non-bonded interactions are excluded
energygrp_excl = 

; NMR refinement stuff 
; Distance restraints type: No, Simple or Ensemble
disre = No
; Force weighting of pairs in one distance restraint: Conservative or Equal
disre_weighting = Equal
; Use sqrt of the time averaged times the instantaneous violation
disre_mixed = no
disre_fc = 1000
disre_tau = 1.25
; Output frequency for pair distances to energy file
nstdisreout = 100
; Orientation restraints: No or Yes
orire = no
; Orientation restraints force constant and tau for time averaging
orire-fc = 0
orire-tau = 0
orire-fitgrp = 
; Output frequency for trace(SD) to energy file
nstorireout = 100
; Dihedral angle restraints: No, Simple or Ensemble
dihre = No
dihre-fc = 1000
dihre-tau = 0
; Output frequency for dihedral values to energy file
nstdihreout = 100

; Free energy control stuff
free_energy = no
init_lambda = 0
delta_lambda = 0
sc-alpha = 0
sc-sigma = 0.3

; Non-equilibrium MD stuff
acc-grps = 
accelerate = 
freezegrps = 
freezedim = 
cos-acceleration = 0

; Electric fields 
; Format is number of terms (int) and for all terms an amplitude (real)
; and a phase angle (real)
E-x = 
E-xt = 
E-y = 
E-yt = 
E-z = 
E-zt = 

; User defined thingies
user1-grps = 
user2-grps = 
userint1 = 0
userint2 = 0
userint3 = 0
userint4 = 0
userreal1 = 0
userreal2 = 0
userreal3 = 0
userreal4 = 0





---------------------------------
Argon  ;  this is the file  used by albert
100
1Argon AR 1 1.028 0.808 1.010
2Argon AR 2 0.085 1.742 0.919
3Argon AR 3 1.423 0.954 0.283
4Argon AR 4 0.145 0.305 0.218
5Argon AR 5 1.954 0.259 1.575
6Argon AR 6 1.115 0.058 1.524
7Argon AR 7 1.396 1.736 1.537
8Argon AR 8 1.685 1.042 1.061
9Argon AR 9 1.647 1.386 0.240
10Argon AR 10 1.791 1.013 0.578
11Argon AR 11 1.015 1.830 0.234
12Argon AR 12 1.651 1.343 1.823
13Argon AR 13 0.320 1.743 1.789
14Argon AR 14 1.718 1.858 0.063
15Argon AR 15 1.016 0.349 0.849
16Argon AR 16 0.207 1.010 1.687
17Argon AR 17 0.886 1.356 2.029
18Argon AR 18 0.595 1.124 0.265
19Argon AR 19 1.336 1.109 0.742
20Argon AR 20 1.370 1.380 1.199
21Argon AR 21 1.089 0.667 0.510
22Argon AR 22 1.836 0.072 0.412
23Argon AR 23 0.447 0.991 1.222
24Argon AR 24 1.173 1.361 0.320
25Argon AR 25 1.938 1.685 0.491
26Argon AR 26 2.099 1.431 1.629
27Argon AR 27 1.407 0.079 0.206
28Argon AR 28 0.211 0.978 0.515
29Argon AR 29 0.988 0.901 0.119
30Argon AR 30 1.419 0.146 0.718
31Argon AR 31 0.389 0.178 1.496
32Argon AR 32 1.434 1.790 0.494
33Argon AR 33 1.275 0.956 1.842
34Argon AR 34 0.577 0.082 0.237
35Argon AR 35 1.133 1.328 1.599
36Argon AR 36 0.367 1.315 2.003
37Argon AR 37 0.214 0.519 0.628
38Argon AR 38 1.638 1.479 0.804
39Argon AR 39 1.699 0.844 2.025
40Argon AR 40 1.080 0.046 1.991
41Argon AR 41 0.472 1.263 0.816
42Argon AR 42 2.090 1.302 0.805
43Argon AR 43 0.361 0.456 1.092
44Argon AR 44 0.634 2.099 1.862
45Argon AR 45 0.007 0.811 0.930
46Argon AR 46 2.065 1.570 2.085
47Argon AR 47 0.321 1.483 1.241
48Argon AR 48 1.346 0.874 1.358
49Argon AR 49 0.291 0.813 0.059
50Argon AR 50 1.007 0.223 0.378
51Argon AR 51 0.838 0.451 2.087
52Argon AR 52 0.952 1.968 0.688
53Argon AR 53 1.971 0.675 0.299
54Argon AR 54 1.303 1.887 1.068
55Argon AR 55 0.610 0.615 0.362
56Argon AR 56 2.058 0.192 1.113
57Argon AR 57 0.605 1.828 1.427
58Argon AR 58 1.517 0.058 1.800
59Argon AR 59 0.812 0.443 1.264
60Argon AR 60 0.112 0.062 0.675
61Argon AR 61 1.451 0.656 0.837
62Argon AR 62 0.753 1.516 0.497
63Argon AR 63 0.503 0.641 1.552
64Argon AR 64 0.249 1.452 0.392
65Argon AR 65 0.873 2.090 1.139
66Argon AR 66 0.886 1.081 0.629
67Argon AR 67 1.813 1.592 1.253
68Argon AR 68 2.077 0.621 1.859
69Argon AR 69 0.695 1.666 0.982
70Argon AR 70 0.631 1.345 1.581
71Argon AR 71 1.780 0.959 1.565
72Argon AR 72 1.544 0.522 1.649
73Argon AR 73 1.043 0.526 1.670
74Argon AR 74 1.764 1.961 0.872
75Argon AR 75 0.459 1.854 0.602
76Argon AR 76 1.319 1.628 2.019
77Argon AR 77 0.057 0.665 1.389
78Argon AR 78 0.939 1.743 1.740
79Argon AR 79 1.316 0.358 1.216
80Argon AR 80 1.539 0.500 0.391
81Argon AR 81 0.592 0.235 0.697
82Argon AR 82 0.881 0.927 1.459
83Argon AR 83 0.082 1.909 1.389
84Argon AR 84 1.857 0.422 0.744
85Argon AR 85 0.154 1.928 0.230
86Argon AR 86 1.844 1.826 1.709
87Argon AR 87 0.591 0.761 0.820
88Argon AR 88 1.135 1.535 0.792
89Argon AR 89 0.892 1.265 1.127
90Argon AR 90 1.315 0.510 2.077
91Argon AR 91 1.647 0.007 1.320
92Argon AR 92 2.090 1.152 1.260
93Argon AR 93 1.743 0.564 1.204
94Argon AR 94 0.401 0.404 1.938
95Argon AR 95 0.406 2.070 1.055
96Argon AR 96 0.670 0.930 1.884
97Argon AR 97 0.081 0.035 1.912
98Argon AR 98 0.576 1.711 0.091
99Argon AR 99 1.796 0.317 2.087
100Argon AR 100 2.036 1.126 0.119
5.10000 5.10000 5.10000



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