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# 
# Keywords:
# 
opti defe conp molmec comp                                                      
# 
# Options:
# 
title
Natrite - ICSD Collection Code 16024                                            
end
name sodium                        
cell
   8.748063   5.262197   6.225842  90.152461  99.881937  90.087486
fractional   48
Na    core 0.0000000 0.0180000 0.0000000 1.00000000 0.49999 0.00000             
Na    core 0.5000035 0.5179950 0.9999797 1.00000000 0.49999 0.00000             
Na    core 0.0000015 0.0179891 0.0000036 1.00000000 0.49999 0.00000             
Na    core 0.5000042 0.5179854 0.9999804 1.00000000 0.49999 0.00000             
Na    core 0.0000092 0.0179873 0.5000018 1.00000000 0.49999 0.00000             
Na    core 0.4999860 0.5179846 0.4999738 1.00000000 0.49999 0.00000             
Na    core 0.0000101 0.0179947 0.5000033 1.00000000 0.49999 0.00000             
Na    core 0.4999869 0.5179918 0.4999735 1.00000000 0.49999 0.00000             
Na    core 0.1686026 0.5177008 0.7382382 1.00000000 0.49999 0.00000             
Na    core 0.6686007 0.0177192 0.7382020 1.00000000 0.49999 0.00000             
Na    core 0.8313979 0.5182814 0.2617525 1.00000000 0.49999 0.00000             
Na    core 0.3314005 0.0182580 0.2617497 1.00000000 0.49999 0.00000             
Na    core 0.8313979 0.5182814 0.2617525 1.00000000 0.49999 0.00000             
Na    core 0.3314002 0.0182582 0.2617499 1.00000000 0.49999 0.00000             
Na    core 0.1686025 0.5177008 0.7382382 1.00000000 0.49999 0.00000             
Na    core 0.6686005 0.0177194 0.7382022 1.00000000 0.49999 0.00000             
C     core 0.1628882 0.5183575 0.2496650 0.71200000 0.49999 0.00000             
C     core 0.6628884 0.0183651 0.2496561 0.71200000 0.49999 0.00000             
C     core 0.8371151 0.5176283 0.7503171 0.71200000 0.49999 0.00000             
C     core 0.3371094 0.0176130 0.7503180 0.71200000 0.49999 0.00000             
C     core 0.8371151 0.5176281 0.7503169 0.71200000 0.49999 0.00000             
C     core 0.3371093 0.0176131 0.7503181 0.71200000 0.49999 0.00000             
C     core 0.1628882 0.5183573 0.2496649 0.71200000 0.49999 0.00000             
C     core 0.6628883 0.0183651 0.2496562 0.71200000 0.49999 0.00000             
O1    core 0.1181924 0.3147465 0.3275945 -0.9039999 0.49999 0.00000             
O1    core 0.6181766 0.8148034 0.3276395 -0.9039999 0.49999 0.00000             
O1    core 0.8819025 0.3124205 0.6747841 -0.9039999 0.49999 0.00000             
O1    core 0.3818635 0.8123534 0.6748254 -0.9039999 0.49999 0.00000             
O1    core 0.8818280 0.7212448 0.6724172 -0.9039999 0.49999 0.00000             
O1    core 0.3818244 0.2211709 0.6723338 -0.9039999 0.49999 0.00000             
O1    core 0.1181050 0.7235669 0.3252038 -0.9039999 0.49999 0.00000             
O1    core 0.6181237 0.2236220 0.3251373 -0.9039999 0.49999 0.00000             
O1    core 0.2978499 0.5180664 0.2022750 -0.9039999 0.49999 0.00000             
O1    core 0.7671302 0.0172801 0.1317471 -0.9039999 0.49999 0.00000             
O1    core 0.7328394 0.5186654 0.8681783 -0.9039999 0.49999 0.00000             
O1    core 0.2021419 0.0180000 0.7977053 -0.9039999 0.49999 0.00000             
O1    core 0.7021313 0.5179103 0.7976397 -0.9039999 0.49999 0.00000             
O1    core 0.2328628 0.0187126 0.8682239 -0.9039999 0.49999 0.00000             
O1    core 0.2671653 0.5173294 0.1317897 -0.9039999 0.49999 0.00000             
O1    core 0.7978687 0.0179833 0.2023118 -0.9039999 0.49999 0.00000             
O1    core 0.0878918 0.7224464 0.2593520 -0.9039999 0.49999 0.00000             
O1    core 0.5879110 0.2224787 0.2593006 -0.9039999 0.49999 0.00000             
O1    core 0.9120181 0.7217531 0.7385469 -0.9039999 0.49999 0.00000             
O1    core 0.4120331 0.2216962 0.7384733 -0.9039999 0.49999 0.00000             
O1    core 0.9121077 0.3135376 0.7406529 -0.9039999 0.49999 0.00000             
O1    core 0.4120804 0.8134906 0.7406575 -0.9039999 0.49999 0.00000             
O1    core 0.0879867 0.3142313 0.2614667 -0.9039999 0.49999 0.00000             
O1    core 0.5879732 0.8142731 0.2615040 -0.9039999 0.49999 0.00000             
species   4
Na     core    1.000000            
C      core    0.712000            
O      core   -0.904000            
O1     core   -0.904000            
buck inter     
O     core Na    core  1738.4100     0.265000 0.0000      0.000 12.000
buck     
O1    core O1    core  5622.2300     0.245497 0.0000      1.000  2.500
buck inter     
O1    core O1    core  77769.030     0.200000 25.980      1.000 15.000
morse intra bond
C     core O1    core 5.7000000     2.7406      1.20172  0.0000
three bond intra
C     core O1    core O1    core 1.1270     120.00    
torsion intra
O1    cor C     cor O1    cor O1    cor .18000      -2 0.0000     &
 1.50 1.50 2.00 2.00
stepmx opt     0.300000
print    1
switch_min rfo  gnorm     0.100000
dump test.gin