/
sucrose-new.INP
371 lines (336 loc) · 20.2 KB
/
sucrose-new.INP
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r_exp 1.093 r_exp_dash 2.087 r_wp 5.920 r_wp_dash 11.305 r_p 4.075 r_p_dash 10.619 weighted_Durbin_Watson 0.099 gof 5.418
iters 100000
xdd "Z:\home\dmitrienka\Dropbox\R\metarefine\sucrose-re2 [001]_Add_Scans.raw"
r_exp 1.093 r_exp_dash 2.087 r_wp 5.920 r_wp_dash 11.305 r_p 4.075 r_p_dash 10.619 weighted_Durbin_Watson 0.099 gof 5.418
bkg @ 7654.78291` -9513.75341` 7055.34658` -4095.20999` 2172.48352` -1093.84952` 601.587918` -340.44733` 327.41455` -337.775355` 259.86137` -150.885223` 61.8087` -9.19489947` 3.23277949` 15.8673346` -19.0991996` 24.8926582`
LP_Factor( 27.3)
Zero_Error(@, 0.01251`)
do_errors
Rp 217.5
Rs 217.5
axial_conv
filament_length 16
sample_length @ 4`_0.151150541_LIMIT_MIN_4 min =4; max =16;
receiving_slit_length 17_LIMIT_MIN_0.0001
primary_soller_angle @ 5.42891224`_0.01447577
secondary_soller_angle 2.3
axial_n_beta 10
User_Defined_Dependence_Convolution(gauss_fwhm, 1/Cos(Th) , , 0.02357439146)
Foil_ThicknessI(@ , 0.22916`_0.00288)
lam
ymin_on_ymax 0.0001
la 1 lo 1.540596 lh 0.5
str
CS_G(@, 638.00154`)
r_bragg 4.66825228
scale @ 0.0224625979`
phase_name "Structure"
MVW( 684.601, 715.281851`, 100.000`)
space_group P21
Phase_LAC_1_on_cm( 12.45981`)
Phase_Density_g_on_cm3( 1.58931`)
a @ 7.75996`
b @ 8.70631` ' comment with Out_CIF_STR
c @ 10.86361`
be @ 102.95105`
PO_Spherical_Harmonics(,4)
Out_CIF_STR("sucrose-new.cif")
penalties_weighting_K1 1000
' Упоротый комментарий
prm beqo 1.33732`
prm beqc 0.77839`
prm beqh =beqc*1.2;
prm =beqo/(8*Pi^2); : 0.01694`
prm =beqc/(8*Pi^2); : 0.00986`
prm =beqh/(8*Pi^2); : 0.01183`
site O1 x @ -0.63231` y @ -0.64333` z @ -0.12228` occ O 1.000 beq =beqo;' comments!
site O2 x @ -0.60777` y @ -0.59229` z @ -0.32909` occ O 1.000 beq =beqo;' comments!
site O3 x @ -0.68352` y @ -0.33804` z @ -0.28834` occ O 1.000 beq =beqo;
site O4 x -0.25176 y -0.68065 z -0.27318 occ O 1.000 beq =beqo;
site O5 x -0.79513 y -0.56815 z -0.57332 occ O 1.000 beq =beqo;
site C6 x -0.51417 y -0.60237 z -0.19999 occ C 1.000 beq =beqc;
site H6 x -0.46290 y -0.50147 z -0.17368 occ H 1.000 beq =beqh;
site C7 x @ -0.63006` y @ -0.43715` z @ -0.37649` occ C 1.000 beq =beqc;
site O8 x -1.09293 y -0.34306 z -0.52255 occ O 1.000 beq =beqo;
site O9 x -0.37535 y -0.48207 z -0.47041 occ O 1.000 beq =beqo;
site O10 x -0.96186 y -0.48715 z -0.17331 occ O 1.000 beq =beqo;
site C11 x -0.78518 y -0.43701 z -0.49432 occ C 1.000 beq =beqc;
site H11 x -0.77208 y -0.34614 z -0.54471 occ H 1.000 beq =beqh;
site O12 x -0.71554 y -0.79696 z 0.08422 occ O 1.000 beq =beqo;
site C13 x -0.36216 y -0.71949 z -0.18748 occ C 1.000 beq =beqc;
site H13 x -0.29051 y -0.71521 z -0.10090 occ H 1.000 beq =beqh;
site C14 x -0.87320 y -0.30594 z -0.32360 occ C 1.000 beq =beqc;
site H14 x -0.89077 y -0.19885 z -0.35136 occ H 1.000 beq =beqh;
site C15 x -0.70564 y -0.79773 z -0.14068 occ C 1.000 beq =beqc;
site H15 x -0.78099 y -0.80809 z -0.22564 occ H 1.000 beq =beqh;
site O16 x -0.29514 y -0.99546 z -0.19141 occ O 1.000 beq =beqo;
site C17 x -0.43507 y -0.88335 z -0.21449 occ C 1.000 beq =beqc;
site H17 x -0.50189 y -0.89224 z -0.30219 occ H 1.000 beq =beqh;
site C18 x -0.94738 y -0.41216 z -0.43572 occ C 1.000 beq =beqc;
site H18 x -0.98329 y -0.51021 z -0.40491 occ H 1.000 beq =beqh;
site C19 x -0.45325 y -0.37551 z -0.39795 occ C 1.000 beq =beqc;
site H19A x -0.47070 y -0.27800 z -0.44229 occ H 1.000 beq =beqh;
site H19B x -0.37365 y -0.35861 z -0.31653 occ H 1.000 beq =beqh;
site C20 x -0.55726 y -0.91752 z -0.12484 occ C 1.000 beq =beqc;
site H20 x -0.48677 y -0.91538 z -0.03791 occ H 1.000 beq =beqh;
site C21 x -0.81874 y -0.81676 z -0.04180 occ C 1.000 beq =beqc;
site H21A x -0.91444 y -0.74259 z -0.05928 occ H 1.000 beq =beqh;
site H21B x -0.87048 y -0.91870 z -0.04998 occ H 1.000 beq =beqh;
site C23 x -0.95326 y -0.32776 z -0.20854 occ C 1.000 beq =beqc;
site H23A x -0.88245 y -0.27186 z -0.13768 occ H 1.000 beq =beqh;
site H23B x -1.07130 y -0.28419 z -0.22657 occ H 1.000 beq =beqh;
site O6 x -0.64372 y -1.06277 z -0.14935 occ O 1.000 beq =beqo;
site H4 x -0.16157 y -0.62688 z -0.23235 occ H 1.000 beq =beqh;
site H16 x -0.26493 y -1.02272 z -0.25517 occ H 1.000 beq =beqh;
site H10 x -0.85004 y -0.51842 z -0.14793 occ H 1.000 beq =beqh;
site H12 x -0.71579 y -0.70151 z 0.10326 occ H 1.000 beq =beqh;
site H9 x -0.34423 y -0.55272 z -0.42712 occ H 1.000 beq =beqh;
site H8 x -1.18232 y -0.39548 z -0.51565 occ H 1.000 beq =beqh;
site H5 x -0.81633 y -0.64297 z -0.53694 occ H 1.000 beq =beqh;
site H6A x -0.57641 y -1.12155 z -0.15454 occ H 1.000 beq =beqh;
'Bond restraints
'internal
Distance_Restrain_Breakable( O1 C6, 1.413, 1.42381`, 4, 1000)
Distance_Restrain_Breakable( O1 C15, 1.443, 1.45595`, 4, 1000)
Distance_Restrain_Breakable( O2 C6, 1.427, 1.43026`, 4, 1000)
Distance_Restrain_Breakable( O2 C7, 1.433, 1.44206`, 4, 1000)
Distance_Restrain_Breakable( O3 C7, 1.410, 1.41837`, 4, 1000)
Distance_Restrain_Breakable( O3 C14, 1.449, 1.46241`, 4, 1000)
Distance_Restrain_Breakable( O4 C13, 1.428, 1.43964`, 4, 1000)
Distance_Restrain_Breakable( O5 C11, 1.408, 1.41999`, 4, 1000)
Distance_Restrain_Breakable( O6 C20, 1.414, 1.42834`, 4, 1000)
Distance_Restrain_Breakable( O8 C18, 1.425, 1.43173`, 4, 1000)
Distance_Restrain_Breakable( O9 C19, 1.427, 1.43494`, 4, 1000)
Distance_Restrain_Breakable( O10 C23, 1.428, 1.44503`, 4, 1000)
Distance_Restrain_Breakable( O12 C21, 1.420, 1.43313`, 4, 1000)
Distance_Restrain_Breakable( O16 C17, 1.429, 1.43965`, 4, 1000)
Distance_Restrain_Breakable( C6 C13, 1.535, 1.54201`, 4, 1000)
Distance_Restrain_Breakable( C7 C11, 1.542, 1.54818`, 4, 1000)
Distance_Restrain_Breakable( C7 C19, 1.523, 1.53890`, 4, 1000)
Distance_Restrain_Breakable( C11 C18, 1.524, 1.54774`, 4, 1000)
Distance_Restrain_Breakable( C13 C17, 1.523, 1.53851`, 4, 1000)
Distance_Restrain_Breakable( C14 C18, 1.527, 1.53489`, 4, 1000)
Distance_Restrain_Breakable( C14 C23, 1.514, 1.52727`, 4, 1000)
Distance_Restrain_Breakable( C15 C20, 1.524, 1.53436`, 4, 1000)
Distance_Restrain_Breakable( C15 C21, 1.527, 1.54084`, 4, 1000)
Distance_Restrain_Breakable( C17 C20, 1.525, 1.53298`, 4, 1000)
'Angle restraints
'internal
Angle_Restrain( C6 O1 C15, 115.685, 115.69749`, 1.0, 10.0)
Angle_Restrain( C6 O2 C7, 113.944, 113.67417`, 1.0, 10.0)
Angle_Restrain( C7 O3 C14, 111.527, 111.64943`, 1.0, 10.0)
Angle_Restrain( O1 C6 O2, 110.337, 110.10973`, 1.0, 10.0)
Angle_Restrain( O1 C6 C13, 110.985, 111.32168`, 1.0, 10.0)
Angle_Restrain( O2 C6 C13, 110.134, 109.71421`, 1.0, 10.0)
Angle_Restrain( O2 C7 O3, 110.974, 111.01147`, 1.0, 10.0)
Angle_Restrain( O2 C7 C11, 108.229, 107.74544`, 1.0, 10.0)
Angle_Restrain( O2 C7 C19, 110.145, 109.94186`, 1.0, 10.0)
Angle_Restrain( O3 C7 C11, 105.167, 105.47971`, 1.0, 10.0)
Angle_Restrain( O3 C7 C19, 107.155, 107.20184`, 1.0, 10.0)
Angle_Restrain( C11 C7 C19, 115.075, 115.39515`, 1.0, 10.0)
Angle_Restrain( O5 C11 C7, 115.786, 115.21203`, 1.0, 10.0)
Angle_Restrain( O5 C11 C18, 115.352, 114.95534`, 1.0, 10.0)
Angle_Restrain( C7 C11 C18, 102.517, 102.31580`, 1.0, 10.0)
Angle_Restrain( O4 C13 C6, 110.212, 109.99962`, 1.0, 10.0)
Angle_Restrain( O4 C13 C17, 110.182, 109.94779`, 1.0, 10.0)
Angle_Restrain( C6 C13 C17, 111.000, 110.79438`, 1.0, 10.0)
Angle_Restrain( O3 C14 C18, 105.665, 105.61444`, 1.0, 10.0)
Angle_Restrain( O3 C14 C23, 109.723, 109.39127`, 1.0, 10.0)
Angle_Restrain( C18 C14 C23, 115.010, 115.18430`, 1.0, 10.0)
Angle_Restrain( O1 C15 C20, 110.810, 110.59695`, 1.0, 10.0)
Angle_Restrain( O1 C15 C21, 105.646, 105.64753`, 1.0, 10.0)
Angle_Restrain( C20 C15 C21, 112.149, 112.27788`, 1.0, 10.0)
Angle_Restrain( O16 C17 C13, 111.433, 111.38823`, 1.0, 10.0)
Angle_Restrain( O16 C17 C20, 107.871, 107.91168`, 1.0, 10.0)
Angle_Restrain( C13 C17 C20, 108.148, 108.18969`, 1.0, 10.0)
Angle_Restrain( O8 C18 C11, 112.368, 112.45311`, 1.0, 10.0)
Angle_Restrain( O8 C18 C14, 111.575, 111.70556`, 1.0, 10.0)
Angle_Restrain( C11 C18 C14, 102.357, 102.45669`, 1.0, 10.0)
Angle_Restrain( O9 C19 C7, 111.041, 110.92567`, 1.0, 10.0)
Angle_Restrain( O6 C20 C15, 105.672, 105.75636`, 1.0, 10.0)
Angle_Restrain( O6 C20 C17, 112.748, 112.64171`, 1.0, 10.0)
Angle_Restrain( C15 C20 C17, 110.712, 110.62833`, 1.0, 10.0)
Angle_Restrain( O12 C21 C15, 111.563, 111.67766`, 1.0, 10.0)
Angle_Restrain( O10 C23 C14, 113.064, 112.80691`, 1.0, 10.0)
'hydrogen
Angle_Restrain( O1 C6 H6, 109.500, 108.95570`, 1.0, 1.0)
Angle_Restrain( O2 C6 H6, 109.500, 108.33993`, 1.0, 1.0)
Angle_Restrain( C13 C6 H6, 109.500, 108.32791`, 1.0, 1.0)
Angle_Restrain( O5 C11 H11, 109.500, 108.04804`, 1.0, 1.0)
Angle_Restrain( C7 C11 H11, 109.500, 107.67699`, 1.0, 1.0)
Angle_Restrain( C18 C11 H11, 109.500, 108.21410`, 1.0, 1.0)
Angle_Restrain( O4 C13 H13, 109.500, 108.65322`, 1.0, 1.0)
Angle_Restrain( C6 C13 H13, 109.500, 108.51758`, 1.0, 1.0)
Angle_Restrain( C17 C13 H13, 109.500, 108.87817`, 1.0, 1.0)
Angle_Restrain( O3 C14 H14, 109.500, 108.95518`, 1.0, 1.0)
Angle_Restrain( C18 C14 H14, 109.500, 109.11207`, 1.0, 1.0)
Angle_Restrain( C23 C14 H14, 109.500, 108.43329`, 1.0, 1.0)
Angle_Restrain( O1 C15 H15, 109.500, 110.28439`, 1.0, 1.0)
Angle_Restrain( C20 C15 H15, 109.500, 108.51055`, 1.0, 1.0)
Angle_Restrain( C21 C15 H15, 109.500, 109.50640`, 1.0, 1.0)
Angle_Restrain( O16 C17 H17, 109.500, 109.25390`, 1.0, 1.0)
Angle_Restrain( C13 C17 H17, 109.500, 110.50886`, 1.0, 1.0)
Angle_Restrain( C20 C17 H17, 109.500, 109.53130`, 1.0, 1.0)
Angle_Restrain( O8 C18 H18, 109.500, 110.38921`, 1.0, 1.0)
Angle_Restrain( C11 C18 H18, 109.500, 109.78082`, 1.0, 1.0)
Angle_Restrain( C14 C18 H18, 109.500, 109.79119`, 1.0, 1.0)
Angle_Restrain( O9 C19 H19A, 109.500, 108.81025`, 1.0, 1.0)
Angle_Restrain( C7 C19 H19A, 109.500, 110.50258`, 1.0, 1.0)
Angle_Restrain( O9 C19 H19B, 109.500, 109.74537`, 1.0, 1.0)
Angle_Restrain( C7 C19 H19B, 109.500, 108.78273`, 1.0, 1.0)
Angle_Restrain( O6 C20 H20, 109.500, 109.51206`, 1.0, 1.0)
Angle_Restrain( C15 C20 H20, 109.500, 109.75409`, 1.0, 1.0)
Angle_Restrain( C17 C20 H20, 109.500, 108.51080`, 1.0, 1.0)
Angle_Restrain( O12 C21 H21A, 109.500, 110.25386`, 1.0, 1.0)
Angle_Restrain( C15 C21 H21A, 109.500, 108.81995`, 1.0, 1.0)
Angle_Restrain( O12 C21 H21B, 109.500, 109.19588`, 1.0, 1.0)
Angle_Restrain( C15 C21 H21B, 109.500, 108.85994`, 1.0, 1.0)
Angle_Restrain( O10 C23 H23A, 109.500, 108.84798`, 1.0, 1.0)
Angle_Restrain( C14 C23 H23A, 109.500, 108.96190`, 1.0, 1.0)
Angle_Restrain( O10 C23 H23B, 109.500, 109.35720`, 1.0, 1.0)
Angle_Restrain( C14 C23 H23B, 109.500, 108.96468`, 1.0, 1.0)
'Rigid bodies
rigid
load point_for_site ux uy uz {
O4 0.0000 0.0000 0.0000
H4 0.5998 0.4872 0.4116
}
rotate 0 qx 0.74875 qy 0.23736 qz -0.61890
Rotate_about_axies(@ 0.99979`_LIMIT_MIN_-1 min -1 max 1, @ -0.99999`_LIMIT_MIN_-1 min -1 max 1, @ -0.99979`_LIMIT_MIN_-1 min -1 max 1)
Translate(@ -0.25176`, @ -0.68065`, @ -0.27318`)
rigid
load point_for_site ux uy uz {
O5 0.0000 0.0000 0.0000
H5 -0.2365 -0.6608 0.3796
}
rotate 0 qx 0.08272 qy -0.78710 qz -0.61126
Rotate_about_axies(@ -1.00000`_LIMIT_MIN_-1 min -1 max 1, @ -0.80309`_LIMIT_MIN_-1 min -1 max 1, @ -0.99994`_LIMIT_MIN_-1 min -1 max 1)
Translate(@ -0.79513`, @ -0.56815`, @ -0.57332`)
rigid
load point_for_site ux uy uz {
O6 0.0000 0.0000 0.0000
H6A 0.5251 -0.5193 -0.0752
}
rotate 0 qx -0.43242 qy -0.88186 qz -0.18797
Rotate_about_axies(@ -1.00000`_LIMIT_MIN_-1 min -1 max 1, @ -1.00000`_LIMIT_MIN_-1 min -1 max 1, @ 0.99951`_LIMIT_MIN_-1 min -1 max 1)
Translate(@ -0.64372`, @ -1.06277`, @ -0.14935`)
rigid
load point_for_site ux uy uz {
O8 0.0000 0.0000 0.0000
H8 -0.7168 -0.4430 0.0916
}
rotate 0 qx -0.63794 qy 0.42548 qz -0.64187
Rotate_about_axies(@ 0.99994`_LIMIT_MIN_-1 min -1 max 1, @ -0.99994`_LIMIT_MIN_-1 min -1 max 1, @ 1.00000`_LIMIT_MIN_-1 min -1 max 1)
Translate(@ -1.09293`, @ -0.34306`, @ -0.52255`)
rigid
load point_for_site ux uy uz {
O9 0.0000 0.0000 0.0000
H9 0.1545 -0.6188 0.4474
}
rotate 0 qx 0.54436 qy -0.63902 qz -0.54343
Rotate_about_axies(@ -0.99999`_LIMIT_MIN_-1 min -1 max 1, @ -1.00000`_LIMIT_MIN_-1 min -1 max 1, @ -1.00000`_LIMIT_MIN_-1 min -1 max 1)
Translate(@ -0.37535`, @ -0.48207`, @ -0.47041`)
rigid
load point_for_site ux uy uz {
O10 0.0000 0.0000 0.0000
H10 0.8057 -0.2913 0.2486
}
rotate 0 qx -0.10049 qy -0.95560 qz 0.27699
Rotate_about_axies(@ -0.99982`_LIMIT_MIN_-1 min -1 max 1, @ -0.99979`_LIMIT_MIN_-1 min -1 max 1, @ 1.00000`_LIMIT_MIN_-1 min -1 max 1)
Translate(@ -0.96186`, @ -0.48715`, @ -0.17331`)
rigid
load point_for_site ux uy uz {
O12 0.0000 0.0000 0.0000
H12 -0.0659 0.8342 0.1827
}
rotate 0 qx 0.34365 qy 0.15360 qz 0.92645
Rotate_about_axies(@ 0.99960`_LIMIT_MIN_-1 min -1 max 1, @ 0.99998`_LIMIT_MIN_-1 min -1 max 1, @ -0.99998`_LIMIT_MIN_-1 min -1 max 1)
Translate(@ -0.71554`, @ -0.79696`, @ 0.08422`)
rigid
load point_for_site ux uy uz {
O16 0.0000 0.0000 0.0000
H16 0.3992 -0.2511 -0.6644
}
rotate 0 qx 0.71513 qy -0.67743 qz 0.17225
Rotate_about_axies(@ 0.99998`_LIMIT_MIN_-1 min -1 max 1, @ 0.99997`_LIMIT_MIN_-1 min -1 max 1, @ 0.54079`_LIMIT_MIN_-1 min -1 max 1)
Translate(@ -0.29514`, @ -0.99546`, @ -0.19141`)
rigid
load point_for_site ux uy uz {
C6 0.0000 0.0000 0.0000
H6 0.3311 0.8770 0.2864
}
Rotate_about_axies(@ -1.00000`_LIMIT_MIN_-1 min -1 max 1, @ -1.00000`_LIMIT_MIN_-1 min -1 max 1, @ -0.50180`_LIMIT_MIN_-1 min -1 max 1)
Translate(@ -0.51417`, @ -0.60237`, @ -0.19999`)
rigid
load point_for_site ux uy uz {
C11 0.0000 0.0000 0.0000
H11 0.2202 0.8019 -0.5189
}
Rotate_about_axies(@ -1.00000`_LIMIT_MIN_-1 min -1 max 1, @ 1.00000`_LIMIT_MAX_1 min -1 max 1, @ -1.00000`_LIMIT_MIN_-1 min -1 max 1)
Translate(@ -0.78518`, @ -0.43701`, @ -0.49432`)
rigid
load point_for_site ux uy uz {
C13 0.0000 0.0000 0.0000
H13 0.3366 0.0307 0.9201
}
Rotate_about_axies(@ -1.00000`_LIMIT_MIN_-1 min -1 max 1, @ 0.49187`_LIMIT_MIN_-1 min -1 max 1, @ -1.00000`_LIMIT_MIN_-1 min -1 max 1)
Translate(@ -0.36216`, @ -0.71949`, @ -0.18748`)
rigid
load point_for_site ux uy uz {
C14 0.0000 0.0000 0.0000
H14 -0.0540 0.9310 -0.3013
}
Rotate_about_axies(@ 0.68846`_LIMIT_MIN_-1 min -1 max 1, @ -0.22918`_LIMIT_MIN_-1 min -1 max 1, @ 0.99961`_LIMIT_MIN_-1 min -1 max 1)
Translate(@ -0.87320`, @ -0.30594`, @ -0.32360`)
rigid
load point_for_site ux uy uz {
C15 0.0000 0.0000 0.0000
H15 -0.3873 -0.0708 -0.8972
}
Rotate_about_axies(@ -0.73169`_LIMIT_MIN_-1 min -1 max 1, @ -0.52807`_LIMIT_MIN_-1 min -1 max 1, @ 0.79727`_LIMIT_MIN_-1 min -1 max 1)
Translate(@ -0.70564`, @ -0.79773`, @ -0.14068`)
rigid
load point_for_site ux uy uz {
C17 0.0000 0.0000 0.0000
H17 -0.3006 -0.0644 -0.9309
}
Rotate_about_axies(@ -0.46561`_LIMIT_MIN_-1 min -1 max 1, @ 0.32060`_LIMIT_MIN_-1 min -1 max 1, @ 0.61506`_LIMIT_MIN_-1 min -1 max 1)
Translate(@ -0.43507`, @ -0.88335`, @ -0.21449`)
rigid
load point_for_site ux uy uz {
C18 0.0000 0.0000 0.0000
H18 -0.3616 -0.8534 0.3181
}
Rotate_about_axies(@ -0.08850`_LIMIT_MIN_-1 min -1 max 1, @ 0.99918`_LIMIT_MIN_-1 min -1 max 1, @ 0.16058`_LIMIT_MIN_-1 min -1 max 1)
Translate(@ -0.94738`, @ -0.41216`, @ -0.43572`)
rigid
load point_for_site ux uy uz {
C19 0.0000 0.0000 0.0000
H19A -0.0499 0.8533 -0.4596
H19B 0.4319 0.1451 0.8562
}
Rotate_about_axies(@ -0.82554`_LIMIT_MIN_-1 min -1 max 1, @ -0.99901`_LIMIT_MIN_-1 min -1 max 1, @ -0.98254`_LIMIT_MIN_-1 min -1 max 1)
Translate(@ -0.45325`, @ -0.37551`, @ -0.39795`)
rigid
load point_for_site ux uy uz {
C20 0.0000 0.0000 0.0000
H20 0.3225 0.0103 0.9251
}
Rotate_about_axies(@ -0.28527`_LIMIT_MIN_-1 min -1 max 1, @ 0.80568`_LIMIT_MIN_-1 min -1 max 1, @ 0.40390`_LIMIT_MIN_-1 min -1 max 1)
Translate(@ -0.55726`, @ -0.91752`, @ -0.12484`)
rigid
load point_for_site ux uy uz {
C21 0.0000 0.0000 0.0000
H21A -0.7141 0.6299 -0.1861
H21B -0.3678 -0.8954 -0.0611
}
Rotate_about_axies(@ 1.00000`_LIMIT_MIN_-1 min -1 max 1, @ -1.00000`_LIMIT_MIN_-1 min -1 max 1, @ -1.00000`_LIMIT_MIN_-1 min -1 max 1)
Translate(@ -0.81874`, @ -0.81676`, @ -0.04180`)
rigid
load point_for_site ux uy uz {
C23 0.0000 0.0000 0.0000
H23A 0.3555 0.5090 0.7458
H23B -0.8749 0.3600 -0.2140
}
Rotate_about_axies(@ 0.99940`_LIMIT_MIN_-1 min -1 max 1, @ 0.99999`_LIMIT_MIN_-1 min -1 max 1, @ -0.99987`_LIMIT_MIN_-1 min -1 max 1)
Translate(@ -0.95326`, @ -0.32776`, @ -0.20854`)