******************************************************************************** ______ __ / ____/___ _______________ _____ ____/ /________ _ / / / __ `/ ___/ ___/ __ `/ __ \/ __ / ___/ __ `/ / /___/ /_/ (__ |__ ) /_/ / / / / /_/ / / / /_/ / \____/\__,_/____/____/\__,_/_/ /_/\__,_/_/ \__,_/ ******************************************************************************** Run info ******************************************************************************** version: Cassandra Version 1.2 20160804 inputfile: gemc_cholineurea.inp name of run: gemc_cholineurea.out date (mm/dd/yyyy): 12/29/2016 time: 02:19:58 machine: lenovo1 ******************************************************************************** Verbose log ******************************************************************************** Normal output to logfile ******************************************************************************** Simulation type ******************************************************************************** GEMC_NPT ******************************************************************************** Copy input file ******************************************************************************** # Run_Name gemc_cholineurea.out # Sim_Type gemc_npt # Nbr_Species 4 # VDW_Style lj cut_tail 10.00 lj cut_tail 10.00 # Rcutoff_Low 0.5 # Mixing_Rule lb # Molecule_Files choline.mcf 250 chlorine.mcf 250 urea.mcf 500 CO2.mcf 150 # Box_Info 2 cubic 60.0 cubic 200.0 # Temperature_Info 350.00 350.00 # Pressure_Info 1.0 1.0 # Move_Probability_Info # Prob_Translation 0.25 1.5 1.5 1.5 1.5 0 0 0 14.0 # Prob_Rotation 0.25 180.0 180.0 180.0 180.0 180.0 180.0 180.0 180.0 # Prob_Regrowth 0.25 0.2 0.2 0.4 0.2 # Prob_Volume 0.02 2711 30037 # Prob_Swap 0.23 none none none cbmc # Done_Probability_Info # Start_Type make_config 250 250 500 0 make_config 0 0 0 150 # Run_Type equilibration 100 100 # Simulation_Length_Info units steps prop_freq 100 coord_freq 2000 run 2000000 # Seed 1216131116 1216131117 # Property_Info 1 energy_total energy_lj density nmols volume mass_density # Property_Info 2 energy_total energy_lj density nmols volume mass_density # CBMC_Info kappa_ins 50 kappa_dih 20 rcut_cbmc 5.0 6.5 # Pair_Energy true # Fragment_Files species1/frag1/frag1.dat 1 species1/frag2/frag2.dat 2 species1/frag3/frag3.dat 3 species1/frag4/frag4.dat 4 species1/frag5/frag5.dat 5 species1/frag6/frag6.dat 6 species1/frag7/frag7.dat 7 species2/frag1/frag1.dat 8 species3/frag1/frag1.dat 9 species3/frag2/frag2.dat 10 species3/frag3/frag3.dat 11 species4/frag1/frag1.dat 12 END ******************************************************************************** Number of species ******************************************************************************** 4 ******************************************************************************** Box info ******************************************************************************** Number of simulation boxes 2 Box 1 is CUBIC Each Side Of : 60.0000 Angstrom Cell basis vector lengths in A, 60.0000 60.0000 60.0000 Cosine of angles alpha, beta, gamma 0.0000 0.0000 0.0000 Distance between box faces 60.0000 60.0000 60.0000 Box volume, A^3 216000.0000 Box 2 is CUBIC Each Side Of : 200.0000 Angstrom Cell basis vector lengths in A, 200.0000 200.0000 200.0000 Cosine of angles alpha, beta, gamma 0.0000 0.0000 0.0000 Distance between box faces 200.0000 200.0000 200.0000 Box volume, A^3 8000000.0000 ******************************************************************************** Pair style ******************************************************************************** VDW style used is: LJ in box: 1 VDW sum style is: cut_tail in box: 1 rcut = 10.000 Angstrom VDW style used is: LJ in box: 2 VDW sum style is: cut_tail in box: 2 rcut = 10.000 Angstrom Section "# Charge_Style" is missing from the input file By default, charge style for box 1 is NONE By default, charge style for box 2 is NONE Pair interaction energy array storage enabled Lorentz-Berthelot mixing rule specified ******************************************************************************** Molecule info ******************************************************************************** Reading molecular connectivity information Species: 1 Molecular connectivity file: choline.mcf 21 atom(s) specified. 20 bond(s) specified. 37 angle(s) specified. 48 dihedral(s) specified. 0 improper(s) specified. 7 fragment(s) specified. 6 fragment bond(s) specified. Reading molecular connectivity information Species: 2 Molecular connectivity file: chlorine.mcf 1 atom(s) specified. 0 bond(s) specified. 0 angle(s) specified. 0 dihedral(s) specified. 0 improper(s) specified. 1 fragment(s) specified. 0 fragment bond(s) specified. Reading molecular connectivity information Species: 3 Molecular connectivity file: urea.mcf 8 atom(s) specified. 7 bond(s) specified. 9 angle(s) specified. 8 dihedral(s) specified. 0 improper(s) specified. 3 fragment(s) specified. 2 fragment bond(s) specified. Reading molecular connectivity information Species: 4 Molecular connectivity file: CO2.mcf 3 atom(s) specified. 2 bond(s) specified. 1 angle(s) specified. 0 dihedral(s) specified. 0 improper(s) specified. 1 fragment(s) specified. 0 fragment bond(s) specified. Species Max molecules ------- ------------- 1 250 2 250 3 500 4 150 Species 1 ------------------------------------------------------------------------------- Atom parameters read Bond parameters read Angle parameters read Dihedral parameters read Improper parameters read Intra molecule scaling factors for species 1 VDW 1-2 scaling factor 0.000 VDW 1-3 scaling factor 0.000 VDW 1-4 scaling factor 0.000 VDW 1-N scaling factor 1.000 Total number of atoms in fragment 1 is 5 Total number of atoms in fragment 2 is 5 Total number of atoms in fragment 3 is 5 Total number of atoms in fragment 4 is 5 Total number of atoms in fragment 5 is 5 Total number of atoms in fragment 6 is 5 Total number of atoms in fragment 7 is 3 Fragment info read Fragment file for fragment 1 is species1/frag1/frag1.dat Fragment file for fragment 2 is species1/frag2/frag2.dat Fragment file for fragment 3 is species1/frag3/frag3.dat Fragment file for fragment 4 is species1/frag4/frag4.dat Fragment file for fragment 5 is species1/frag5/frag5.dat Fragment file for fragment 6 is species1/frag6/frag6.dat Fragment file for fragment 7 is species1/frag7/frag7.dat ------------------------------------------------------------------------------- Species 2 ------------------------------------------------------------------------------- Atom parameters read Bond parameters read Angle parameters read Dihedral parameters read Improper parameters read Intra molecule scaling factors for species 2 VDW 1-2 scaling factor 0.000 VDW 1-3 scaling factor 0.000 VDW 1-4 scaling factor 0.000 VDW 1-N scaling factor 1.000 Total number of atoms in fragment 1 is 1 Fragment info read Fragment file for fragment 8 is species2/frag1/frag1.dat ------------------------------------------------------------------------------- Species 3 ------------------------------------------------------------------------------- Atom parameters read Bond parameters read Angle parameters read Dihedral parameters read Improper parameters read Intra molecule scaling factors for species 3 VDW 1-2 scaling factor 0.000 VDW 1-3 scaling factor 0.000 VDW 1-4 scaling factor 0.000 VDW 1-N scaling factor 1.000 Total number of atoms in fragment 1 is 4 Total number of atoms in fragment 2 is 4 Total number of atoms in fragment 3 is 4 Fragment info read Fragment file for fragment 9 is species3/frag1/frag1.dat Fragment file for fragment 10 is species3/frag2/frag2.dat Fragment file for fragment 11 is species3/frag3/frag3.dat ------------------------------------------------------------------------------- Species 4 ------------------------------------------------------------------------------- Atom parameters read Bond parameters read Angle parameters read Dihedral parameters read Improper parameters read Intra molecule scaling factors for species 4 VDW 1-2 scaling factor 0.000 VDW 1-3 scaling factor 0.000 VDW 1-4 scaling factor 0.000 VDW 1-N scaling factor 1.000 Total number of atoms in fragment 1 is 3 Fragment info read Fragment file for fragment 12 is species4/frag1/frag1.dat ------------------------------------------------------------------------------- Fragment coord info ------------------------------------------------------------------------------- library_coords array successfully allocated Finished loading fragment coordinates from species1/frag1/frag1.dat species1/frag2/frag2.dat species1/frag3/frag3.dat species1/frag4/frag4.dat species1/frag5/frag5.dat species1/frag6/frag6.dat species1/frag7/frag7.dat Finished loading fragment coordinates from species2/frag1/frag1.dat Finished loading fragment coordinates from species3/frag1/frag1.dat species3/frag2/frag2.dat species3/frag3/frag3.dat Finished loading fragment coordinates from species4/frag1/frag1.dat ------------------------------------------------------------------------------- ******************************************************************************** Start type ******************************************************************************** Initial configuration for box 1 will be made Will insert 250 molecules of species 1 Will insert 250 molecules of species 2 Will insert 500 molecules of species 3 Will insert 0 molecules of species 4 Initial configuration for box 2 will be made Will insert 0 molecules of species 1 Will insert 0 molecules of species 2 Will insert 0 molecules of species 3 Will insert 150 molecules of species 4 ******************************************************************************** Seed info ******************************************************************************** The starting seeds are: 1216131116 1216131117 ******************************************************************************** Temperature ******************************************************************************** Temperature of box 1 is 350.000 K Temperature of box 2 is 350.000 K ******************************************************************************** Pressure ******************************************************************************** Pressure of box 1 is 1.000 bar = 0.602214E-02 amu / (A ps^2) Pressure of box 2 is 1.000 bar = 0.602214E-02 amu / (A ps^2) ******************************************************************************** Move probabilities ******************************************************************************** Probability for translation 0.250000 Maximum displacement width for species 1 in box 1 is 1.50000 Maximum displacement width for species 2 in box 1 is 1.50000 Maximum displacement width for species 3 in box 1 is 1.50000 Maximum displacement width for species 4 in box 1 is 1.50000 Maximum displacement width for species 1 in box 2 is 0.00000 Maximum displacement width for species 2 in box 2 is 0.00000 Maximum displacement width for species 3 in box 2 is 0.00000 Maximum displacement width for species 4 in box 2 is 14.00000 Probability for rotation 0.250000 The rotational width for the species 1 in box 1 is 3.1416 radians The rotational width for the species 2 in box 1 is 3.1416 radians The rotational width for the species 3 in box 1 is 3.1416 radians The rotational width for the species 4 in box 1 is 3.1416 radians The rotational width for the species 1 in box 2 is 3.1416 radians The rotational width for the species 2 in box 2 is 3.1416 radians The rotational width for the species 3 in box 2 is 3.1416 radians The rotational width for the species 4 in box 2 is 3.1416 radians Probability for regrowth 0.250000 Cumulative probability for regrowth of species 1 is 0.200000 Cumulative probability for regrowth of species 2 is 0.400000 Cumulative probability for regrowth of species 3 is 0.800000 Cumulative probability for regrowth of species 4 is 1.000000 Probability for volume move 0.020000 Maximum volume displacement for box 1 is 2711.000 A^3 Maximum volume displacement for box 2 is 30037.000 A^3 Volume moves will be performed in actual volumes Probability for particle swap 0.230000 Species 1 will not be inserted Species 2 will not be inserted Species 3 will not be inserted Species 4 will be inserted using CBMC Number of insertable species is 1 By default, box_out will be selected according to its mole fraction By default, species will be selected according to its mole fraction in box_out Number of moves is : 5 ******************************************************************************** CBMC info ******************************************************************************** Kappa for first fragment insertion 50 Kappa for dihedral selection 20 Cutoff for CBMC for box 1 is 5.00 Cutoff for CBMC for box 2 is 6.50 ******************************************************************************** Simulation length info ******************************************************************************** Thermodynamic quantities will be computed every 100 Steps Coordinates will be written every 2000 Steps movie header file for box 1 is gemc_cholineurea.out.box1.H movie_XYZ file for box 1 is gemc_cholineurea.out.box1.xyz movie header file for box 2 is gemc_cholineurea.out.box2.H movie_XYZ file for box 2 is gemc_cholineurea.out.box2.xyz The simulation will be run for 2000000 Steps Instantaneous values will be written every 100 Steps ******************************************************************************** Property info ******************************************************************************** Total number of property files to be written is 1 for box 1 Maximum number of properties per file is 12 Writing the name of the property files and the corresponding property output Property file 1 is gemc_cholineurea.out.box1.prp Properties output in these files are Energy_Total Energy_LJ Density_1 Density_2 Density_3 Density_4 Nmols_1 Nmols_2 Nmols_3 Nmols_4 Volume Mass_Density Total number of property files to be written is 1 for box 2 Maximum number of properties per file is 12 Writing the name of the property files and the corresponding property output Property file 1 is gemc_cholineurea.out.box2.prp Properties output in these files are Energy_Total Energy_LJ Density_1 Density_2 Density_3 Density_4 Nmols_1 Nmols_2 Nmols_3 Nmols_4 Volume Mass_Density ******************************************************************************** Minimum distance cutoff ******************************************************************************** MC low cutoff distance is 0.500 Angstrom ******************************************************************************** Run type ******************************************************************************** The input run type is equilibration Update frequency is 100 Update frequency for adjusting maximum volume displacement is 100 ******************************************************************************** ******************************************************************************** ************************ Begin Cassandra simulation **************************** ******************************************************************************** Initial configuration ******************************************************************************** Inserting 250 molecules of species 1 Inserting 250 molecules of species 2 Inserting 500 molecules of species 3 Inserting 150 molecules of species 4 ******************************************************************************** Compute total energy ******************************************************************************** Starting energy components for box 1 Atomic units-Extensive ----------------------------------------------------------- Total system energy 2479340.868 Intra molecular energy 2043996.884 Bond energy 0.000 Bond angle energy 1730616.843 Dihedral angle energy 313380.041 Improper angle energy 0.000 Intra molecule vdw 598579.012 Intra molecule q 0.000 Inter molecule vdw -96201.637 Long range correction -67033.391 Inter molecule q 0.000 ----------------------------------------------------------- Starting energy components for box 2 Atomic units-Extensive ----------------------------------------------------------- Total system energy 42582.056 Intra molecular energy 42821.238 Bond energy 0.000 Bond angle energy 42821.238 Dihedral angle energy 0.000 Improper angle energy 0.000 Intra molecule vdw 0.000 Intra molecule q 0.000 Inter molecule vdw -224.167 Long range correction -15.015 Inter molecule q 0.000 ----------------------------------------------------------- ******************************************************************************** Run simulation ******************************************************************************** Step Move Mol Spc Box Success MaxWidth 874 rotate 3 1 0.50000 3.14159 1111 translate 3 1 0.25000 0.75000 1695 translate 1 1 0.12000 0.36000 1837 translate 2 1 0.46000 1.38000 1852 rotate 3 1 0.63000 3.13374 1898 translate 3 1 0.38000 0.77520 1957 translate 3 1 0.52000 0.78000 2267 translate 2 1 0.45000 1.35000 2851 rotate 3 1 0.63000 3.14159 2967 translate 3 1 0.50000 0.78000 3587 translate 2 1 0.64000 1.53600 3498 rotate 4 2 1.00000 3.14159 3641 rotate 2 1 1.00000 3.14159 3683 translate 3 1 0.55000 0.86671 3743 rotate 3 1 0.54000 3.14159 3788 rotate 1 1 0.23000 2.83529 4022 translate 1 1 0.63000 0.60480 4128 rotate 1 1 0.29000 2.83529 4578 translate 3 1 0.56000 0.89107 4808 rotate 3 1 0.56000 3.14159 5431 rotate 3 1 0.68000 3.14159 5533 translate 3 1 0.51000 1.07854 5696 rotate 1 1 0.39000 2.69352 5747 translate 2 1 0.55000 1.64934 5802 translate 1 1 0.58000 0.59438 6007 rotate 1 1 0.36000 2.69352 6527 translate 3 1 0.49000 0.85011 6605 rotate 3 1 0.72000 3.14159 6920 rotate 4 2 1.00000 3.14159 6997 translate 3 1 0.52000 0.89255 7271 translate 2 1 0.50000 1.55438 7356 translate 1 1 0.52000 0.55486 7523 rotate 3 1 0.62000 3.14159 7602 rotate 2 1 1.00000 3.14159 7766 translate 4 2 0.98000 10.00000 7961 rotate 2 1 1.00000 3.14159 8278 rotate 3 1 0.61000 3.14159 8385 rotate 3 1 0.60000 3.14159 9091 rotate 3 1 0.59000 3.14159 9195 translate 3 1 0.45000 0.87197 9158 volume 1 0.59000 3199. 9543 rotate 2 1 1.00000 3.14159 9672 volume 2 0.91000 54667. 9746 rotate 1 1 0.35000 2.43090 9867 translate 2 1 0.53000 1.74830 10099 rotate 3 1 0.63000 3.14159 10336 volume 2 0.98000 58873. 10381 translate 3 1 0.58000 0.92213 10708 rotate 4 2 1.00000 3.14159 10738 rotate 2 1 1.00000 3.14159 11037 rotate 2 1 1.00000 3.14159 11151 rotate 3 1 0.58000 3.14159 11230 translate 1 1 0.50000 0.58844 11283 rotate 2 1 1.00000 3.14159 11420 rotate 3 1 0.69000 3.14159 11699 translate 2 1 0.44000 1.53850 12029 rotate 3 1 0.55000 3.14159 12345 translate 3 1 0.50000 0.93998 12900 rotate 3 1 0.52000 3.14159 12959 rotate 2 1 1.00000 3.14159 12997 rotate 1 1 0.28000 2.19389 13023 translate 1 1 0.50000 0.58844 13171 translate 3 1 0.51000 1.05683 13518 translate 2 1 0.49000 1.50773 13557 rotate 4 2 1.00000 3.14159 13934 rotate 4 2 1.00000 3.14159 14261 rotate 3 1 0.58000 3.14159 14439 rotate 2 1 1.00000 3.14159 14698 rotate 1 1 0.26000 2.08420 14796 rotate 3 1 0.56000 3.14159 14865 translate 3 1 0.49000 0.87144 14938 translate 1 1 0.42000 0.49429 15182 translate 4 2 0.97000 10.00000 15626 translate 2 1 0.49000 1.72476 15820 translate 3 1 0.46000 0.76278 15849 rotate 3 1 0.68000 3.14159 16460 translate 3 1 0.44000 0.81288 16637 rotate 3 1 0.50000 3.14159 16654 translate 1 1 0.53000 0.52395 16980 rotate 1 1 0.22000 1.97999 17086 rotate 2 1 1.00000 3.14159 17324 rotate 4 2 1.00000 3.14159 17410 translate 2 1 0.41000 1.41430 17330 rotate 4 2 0.99000 3.14159 17688 rotate 3 1 0.61000 3.14159 17820 translate 3 1 0.46000 0.82807 18335 translate 3 1 0.45000 0.74622 18362 rotate 3 1 0.57000 3.14159 18515 rotate 2 1 1.00000 3.14159 18651 translate 1 1 0.46000 0.48203 19012 rotate 1 1 0.28000 1.88099 19330 translate 3 1 0.60000 0.88545 19248 rotate 3 1 0.59000 3.14159 19546 translate 3 1 0.48000 0.71545 19570 rotate 3 1 0.59000 3.14159 20168 translate 3 1 0.44000 0.80114 20175 rotate 3 1 0.55000 3.14159 20266 volume 2 0.96000 104961. 20377 rotate 2 1 1.00000 3.14159 20453 rotate 4 1 0.59000 3.14159 20813 translate 1 1 0.51000 0.54788 21003 translate 2 1 0.57000 1.77354 21179 translate 4 2 0.98000 10.00000 21290 translate 3 1 0.66000 0.83107 21358 rotate 3 1 0.48000 2.98451 21456 rotate 1 1 0.34000 1.69759 21668 rotate 4 2 1.00000 3.14159 21716 rotate 2 1 1.00000 3.14159 21754 translate 2 1 0.42000 1.31314 22210 rotate 3 1 0.58000 3.13374 22263 translate 1 1 0.54000 0.53547 22837 translate 3 1 0.50000 0.88094 22926 rotate 3 1 0.44000 2.97705 23161 translate 3 1 0.47000 0.78121 23233 rotate 1 1 0.30000 1.61271 23662 translate 2 1 0.58000 1.52324 23831 rotate 3 1 0.54000 3.14159 23998 translate 3 1 0.54000 0.84370 24004 rotate 3 1 0.50000 3.12590 24102 translate 1 1 0.43000 0.46050 24409 translate 4 1 0.25000 0.75000 24623 rotate 4 2 1.00000 3.14159 24865 translate 3 1 0.37000 0.62434 24873 rotate 3 1 0.59000 3.14159 25010 rotate 1 1 0.35000 1.53208 25292 translate 4 2 1.00000 10.00000 25694 translate 2 1 0.46000 1.40138 25765 translate 3 1 0.45000 0.61326 26290 translate 1 1 0.40000 0.49651 26195 translate 2 1 0.55000 1.51030 26204 rotate 1 1 0.30000 1.53208 26620 translate 3 1 0.50000 0.66180 26805 rotate 3 1 0.58000 3.14159 26999 rotate 1 1 0.38000 1.45547 27360 translate 1 1 0.57000 0.50495 27552 rotate 3 1 0.54000 2.97705 27722 rotate 1 1 0.27000 1.45547 27770 rotate 4 2 1.00000 3.14159 27773 translate 3 1 0.56000 0.89291 27916 rotate 2 1 1.00000 3.14159 27927 translate 4 2 0.99000 10.00000 28560 translate 3 1 0.61000 0.80740 28661 rotate 3 1 0.54000 3.14159 28765 rotate 4 1 0.49000 2.98451 29022 volume 1 0.43000 3466. 29241 rotate 3 1 0.53000 3.14159 29391 translate 1 1 0.52000 0.52514 29396 rotate 1 1 0.29000 1.38270 29580 translate 3 1 0.46000 0.67361 29847 rotate 2 1 1.00000 3.14159 29906 translate 2 1 0.52000 1.41583 30151 rotate 3 1 0.48000 2.98451 30496 translate 3 1 0.48000 0.64667 30989 rotate 1 1 0.38000 1.31356 31054 rotate 3 1 0.45000 2.83529 31121 translate 1 1 0.44000 0.46213 31297 translate 3 1 0.57000 0.73720 31458 rotate 4 2 1.00000 3.14159 31602 volume 2 0.92000 193129. 31833 rotate 2 1 1.00000 3.14159 32052 translate 2 1 0.46000 1.30256 32111 rotate 3 1 0.52000 2.97705 32172 translate 3 1 0.52000 0.76669 32477 translate 4 2 1.00000 10.00000 32953 translate 1 1 0.47000 0.43440 33011 rotate 1 1 0.35000 1.24789 33019 rotate 3 1 0.53000 3.12590 33218 translate 3 1 0.44000 0.67469 33657 rotate 2 1 1.00000 3.14159 33910 rotate 3 1 0.52000 3.14159 33933 translate 3 1 0.59000 0.79613 34139 translate 2 1 0.60000 1.56307 34722 rotate 3 1 0.57000 3.14159 34837 rotate 1 1 0.34000 1.18549 34841 translate 3 1 0.45000 0.71652 35035 translate 1 1 0.51000 0.44309 35275 rotate 4 2 1.00000 3.14159 35541 rotate 3 1 0.50000 3.14159 35616 rotate 2 1 1.00000 3.14159 35679 translate 3 1 0.51000 0.73085 35731 translate 4 2 1.00000 10.00000 35744 translate 2 1 0.42000 1.31298 36459 rotate 1 1 0.35000 1.12622 36576 rotate 3 1 0.56000 3.14159 36793 translate 3 1 0.56000 0.81855 36984 volume 1 0.49000 3397. 37126 translate 1 1 0.50000 0.44309 37331 rotate 2 1 1.00000 3.14159 37475 rotate 3 1 0.56000 3.14159 37538 translate 2 1 0.46000 1.20794 37832 translate 3 1 0.45000 0.73670 38382 rotate 1 1 0.37000 1.06991 38389 rotate 3 1 0.45000 2.98451 38614 rotate 4 2 0.99000 3.14159 38637 translate 1 1 0.46000 0.40764 38817 translate 3 1 0.49000 0.72196 39065 translate 4 2 1.00000 10.00000 39283 rotate 3 1 0.58000 3.13374 39352 translate 2 1 0.57000 1.37705 39677 rotate 2 1 1.00000 3.14159 39753 translate 3 1 0.52000 0.75084 39892 rotate 4 1 0.42000 2.98451 40019 translate 1 1 0.63000 0.51363 40114 rotate 1 1 0.38000 1.01641 40227 rotate 3 1 0.49000 2.97705 40711 translate 3 1 0.46000 0.69077 41119 rotate 3 1 0.61000 3.12590 41364 rotate 2 1 1.00000 3.14159 41471 translate 2 1 0.48000 1.32197 41597 translate 3 1 0.55000 0.75985 41626 volume 2 0.81000 312869. 41847 translate 1 1 0.44000 0.45199 41985 rotate 1 1 0.32000 0.96559 42055 rotate 3 1 0.48000 2.96961 42407 translate 4 2 0.99000 10.00000 42466 rotate 4 2 1.00000 3.14159 42497 translate 3 1 0.46000 0.69906 42852 translate 4 1 0.42000 0.85680 42894 rotate 3 1 0.53000 3.11809 42945 rotate 2 1 1.00000 3.14159 43307 translate 2 1 0.48000 1.26909 43471 translate 3 1 0.48000 0.67110 43607 rotate 3 1 0.55000 3.14159 43772 translate 1 1 0.53000 0.47911 44521 translate 1 1 0.54000 0.45635 44280 translate 3 1 0.59000 0.79190 44507 rotate 3 1 0.57000 3.14159 45005 rotate 2 1 1.00000 3.14159 45090 translate 2 1 0.59000 1.49753 45241 translate 3 1 0.43000 0.68103 45379 rotate 3 1 0.47000 2.98451 45513 translate 1 1 0.51000 0.48869 45897 rotate 1 1 0.41000 0.87145 46213 rotate 3 1 0.58000 3.13374 46293 translate 3 1 0.49000 0.66741 46389 rotate 4 2 1.00000 3.14159 46731 rotate 2 1 1.00000 3.14159 46818 translate 4 2 1.00000 10.00000 46842 translate 2 1 0.44000 1.31783 47190 rotate 3 1 0.50000 3.14159 47260 translate 3 1 0.50000 0.66741 47966 translate 1 1 0.49000 0.42666 48062 volume 1 0.49000 4083. 48208 rotate 3 1 0.56000 3.14159 48072 rotate 3 1 0.45000 2.98451 48664 rotate 4 2 0.99000 3.14159 49063 translate 2 1 0.58000 1.35532 48713 translate 2 1 0.42000 1.10697 48952 rotate 3 1 0.49000 2.83529 49649 rotate 2 1 1.00000 3.14159 49706 rotate 1 1 0.29000 0.91273 49852 translate 1 1 0.56000 0.47786 49910 translate 3 1 0.47000 0.66250 49941 rotate 3 1 0.52000 2.97705 50850 translate 2 1 0.46000 1.24690 50875 translate 3 1 0.54000 0.83095 51133 rotate 3 1 0.53000 3.13374 51324 translate 4 2 0.98000 10.00000 51492 translate 1 1 0.59000 0.56387 51558 rotate 2 1 1.00000 3.14159 51723 rotate 1 1 0.39000 0.86709 51864 translate 3 1 0.44000 0.73124 51733 translate 3 1 0.38000 0.53371 51870 translate 2 1 0.52000 1.10520 52469 translate 2 1 0.58000 1.44640 52877 translate 3 1 0.50000 0.73124 53132 rotate 3 1 0.45000 2.98451 53299 rotate 1 1 0.48000 0.82374 53548 translate 1 1 0.42000 0.47365 53568 rotate 2 1 1.00000 3.14159 53572 volume 2 0.87000 603615. 53676 translate 3 1 0.46000 0.58922 53746 rotate 3 1 0.52000 3.14159 53754 rotate 2 1 1.00000 3.14159 53951 translate 2 1 0.51000 1.12731 54665 translate 3 1 0.59000 0.77657 54357 rotate 4 2 1.00000 3.14159 54746 rotate 1 1 0.39000 0.82374 54600 rotate 3 1 0.52000 3.14159 55437 rotate 2 1 1.00000 3.14159 55466 translate 1 1 0.45000 0.42629 55476 rotate 3 1 0.53000 3.14159 55489 rotate 2 1 1.00000 3.14159 55612 translate 3 1 0.43000 0.64861 55876 volume 1 0.58000 3805. 56030 rotate 1 1 0.38000 0.64059 56320 rotate 3 1 0.47000 2.98451 56455 translate 3 1 0.60000 0.77833 56910 translate 1 1 0.43000 0.39212 57322 translate 3 1 0.49000 0.76276 57365 rotate 3 1 0.42000 2.83529 57551 rotate 2 1 1.00000 3.14159 57590 translate 2 1 0.46000 1.12009 57934 rotate 1 1 0.43000 0.60856 57972 translate 4 2 0.98000 10.00000 58053 rotate 4 1 0.53000 3.13374 58239 rotate 4 2 1.00000 3.14159 58833 translate 1 1 0.45000 0.46068 58919 rotate 2 1 1.00000 3.14159 58691 rotate 2 1 1.00000 3.14159 59241 translate 3 1 0.66000 0.86635 59173 rotate 3 1 0.58000 3.12590 59279 rotate 2 1 1.00000 3.14159 60165 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