Energy of Formation : Interfaces: (Hf3AlO8)6 and (TINO)8 (from job 302, test-2) structure opt. all
    1.0
            10.34219346 0.19235453 -0.03691853 
            -0.14393848 14.96064910 -0.08313703 
            -0.14180149 -0.22959770 40.93904024 
  Hf Al Zr O Ti N
  36 36 72 288 72 72
Direct
        0.02187476 0.86142371 0.78318732      	#	1      	Hf1_s1
        0.02187476 0.91697927 0.14634394      	#	2      	Hf2_s1
        0.02187476 0.97253482 0.27371262      	#	3      	Hf3_s1
        0.02187476 0.69475705 0.40108129      	#	4      	Hf4_s1
        0.02187476 0.75031260 0.52844997      	#	5      	Hf5_s1
        0.02187476 0.80586816 0.65581864      	#	6      	Hf6_s1
        0.52187476 0.86142371 0.78318732      	#	7      	Hf7_s1
        0.52187476 0.91697927 0.14634394      	#	8      	Hf8_s1
        0.52187476 0.97253482 0.27371262      	#	9      	Hf9_s1
        0.52187476 0.69475705 0.40108129      	#	10     	Hf10_s1
        0.52187476 0.75031260 0.52844997      	#	11     	Hf11_s1
        0.52187476 0.80586816 0.65581864      	#	12     	Hf12_s1
        0.02187476 0.52809038 0.78318732      	#	13     	Hf13_s1
        0.02187476 0.58364594 0.14634394      	#	14     	Hf14_s1
        0.02187476 0.63920149 0.27371262      	#	15     	Hf15_s1
        0.02187476 0.36142371 0.40108129      	#	16     	Hf16_s1
        0.02187476 0.41697927 0.52844997      	#	17     	Hf17_s1
        0.02187476 0.47253482 0.65581864      	#	18     	Hf18_s1
        0.52187476 0.52809038 0.78318732      	#	19     	Hf19_s1
        0.52187476 0.58364594 0.14634394      	#	20     	Hf20_s1
        0.52187476 0.63920149 0.27371262      	#	21     	Hf21_s1
        0.52187476 0.36142371 0.40108129      	#	22     	Hf22_s1
        0.52187476 0.41697927 0.52844997      	#	23     	Hf23_s1
        0.52187476 0.47253482 0.65581864      	#	24     	Hf24_s1
        0.02187476 0.19475705 0.78318732      	#	25     	Hf25_s1
        0.02187476 0.25031260 0.14634394      	#	26     	Hf26_s1
        0.02187476 0.30586816 0.27371262      	#	27     	Hf27_s1
        0.02187476 0.02809038 0.40108129      	#	28     	Hf28_s1
        0.02187476 0.08364594 0.52844997      	#	29     	Hf29_s1
        0.02187476 0.13920149 0.65581864      	#	30     	Hf30_s1
        0.52187476 0.19475705 0.78318732      	#	31     	Hf31_s1
        0.52187476 0.25031260 0.14634394      	#	32     	Hf32_s1
        0.52187476 0.30586816 0.27371262      	#	33     	Hf33_s1
        0.52187476 0.02809038 0.40108129      	#	34     	Hf34_s1
        0.52187476 0.08364594 0.52844997      	#	35     	Hf35_s1
        0.52187476 0.13920149 0.65581864      	#	36     	Hf36_s1
        0.26326515 0.71115000 0.79600640      	#	37     	Al1_s1
        0.26326515 0.76670555 0.15916302      	#	38     	Al2_s1
        0.26326515 0.82226111 0.28653170      	#	39     	Al3_s1
        0.26326515 0.87781666 0.41390037      	#	40     	Al4_s1
        0.26326515 0.93337222 0.54126905      	#	41     	Al5_s1
        0.26326515 0.98892778 0.66863772      	#	42     	Al6_s1
        0.76326515 0.71115000 0.79600640      	#	43     	Al7_s1
        0.76326515 0.76670555 0.15916302      	#	44     	Al8_s1
        0.76326515 0.82226111 0.28653170      	#	45     	Al9_s1
        0.76326515 0.87781666 0.41390037      	#	46     	Al10_s1
        0.76326515 0.93337222 0.54126905      	#	47     	Al11_s1
        0.76326515 0.98892778 0.66863772      	#	48     	Al12_s1
        0.26326515 0.37781666 0.79600640      	#	49     	Al13_s1
        0.26326515 0.43337222 0.15916302      	#	50     	Al14_s1
        0.26326515 0.48892778 0.28653170      	#	51     	Al15_s1
        0.26326515 0.54448333 0.41390037      	#	52     	Al16_s1
        0.26326515 0.60003889 0.54126905      	#	53     	Al17_s1
        0.26326515 0.65559444 0.66863772      	#	54     	Al18_s1
        0.76326515 0.37781666 0.79600640      	#	55     	Al19_s1
        0.76326515 0.43337222 0.15916302      	#	56     	Al20_s1
        0.76326515 0.48892778 0.28653170      	#	57     	Al21_s1
        0.76326515 0.54448333 0.41390037      	#	58     	Al22_s1
        0.76326515 0.60003889 0.54126905      	#	59     	Al23_s1
        0.76326515 0.65559444 0.66863772      	#	60     	Al24_s1
        0.26326515 0.04448333 0.79600640      	#	61     	Al25_s1
        0.26326515 0.10003889 0.15916302      	#	62     	Al26_s1
        0.26326515 0.15559444 0.28653170      	#	63     	Al27_s1
        0.26326515 0.21115000 0.41390037      	#	64     	Al28_s1
        0.26326515 0.26670555 0.54126905      	#	65     	Al29_s1
        0.26326515 0.32226111 0.66863772      	#	66     	Al30_s1
        0.76326515 0.04448333 0.79600640      	#	67     	Al31_s1
        0.76326515 0.10003889 0.15916302      	#	68     	Al32_s1
        0.76326515 0.15559444 0.28653170      	#	69     	Al33_s1
        0.76326515 0.21115000 0.41390037      	#	70     	Al34_s1
        0.76326515 0.26670555 0.54126905      	#	71     	Al35_s1
        0.76326515 0.32226111 0.66863772      	#	72     	Al36_s1
        0.47391240 0.74228129 0.85575131      	#	73     	Zr1_s1
        0.23209133 0.88759548 0.84678597      	#	74     	Zr2_s1
        0.47391240 0.79783685 0.21890793      	#	75     	Zr3_s1
        0.23209133 0.94315104 0.20994260      	#	76     	Zr4_s1
        0.47391240 0.85339240 0.34627661      	#	77     	Zr5_s1
        0.23209133 0.99870659 0.33731127      	#	78     	Zr6_s1
        0.47391240 0.90894796 0.47364528      	#	79     	Zr7_s1
        0.23209133 0.72092882 0.46467995      	#	80     	Zr8_s1
        0.47391240 0.96450351 0.60101396      	#	81     	Zr9_s1
        0.23209133 0.77648437 0.59204862      	#	82     	Zr10_s1
        0.47391240 0.68672574 0.72838263      	#	83     	Zr11_s1
        0.23209133 0.83203993 0.71941730      	#	84     	Zr12_s1
        0.97391240 0.74228129 0.85575131      	#	85     	Zr13_s1
        0.73209133 0.88759548 0.84678597      	#	86     	Zr14_s1
        0.97391240 0.79783685 0.21890793      	#	87     	Zr15_s1
        0.73209133 0.94315104 0.20994260      	#	88     	Zr16_s1
        0.97391240 0.85339240 0.34627661      	#	89     	Zr17_s1
        0.73209133 0.99870659 0.33731127      	#	90     	Zr18_s1
        0.97391240 0.90894796 0.47364528      	#	91     	Zr19_s1
        0.73209133 0.72092882 0.46467995      	#	92     	Zr20_s1
        0.97391240 0.96450351 0.60101396      	#	93     	Zr21_s1
        0.73209133 0.77648437 0.59204862      	#	94     	Zr22_s1
        0.97391240 0.68672574 0.72838263      	#	95     	Zr23_s1
        0.73209133 0.83203993 0.71941730      	#	96     	Zr24_s1
        0.47391240 0.40894796 0.85575131      	#	97     	Zr25_s1
        0.23209133 0.55426215 0.84678597      	#	98     	Zr26_s1
        0.47391240 0.46450351 0.21890793      	#	99     	Zr27_s1
        0.23209133 0.60981770 0.20994260      	#	100    	Zr28_s1
        0.47391240 0.52005907 0.34627661      	#	101    	Zr29_s1
        0.23209133 0.66537326 0.33731127      	#	102    	Zr30_s1
        0.47391240 0.57561462 0.47364528      	#	103    	Zr31_s1
        0.23209133 0.38759548 0.46467995      	#	104    	Zr32_s1
        0.47391240 0.63117018 0.60101396      	#	105    	Zr33_s1
        0.23209133 0.44315104 0.59204862      	#	106    	Zr34_s1
        0.47391240 0.35339240 0.72838263      	#	107    	Zr35_s1
        0.23209133 0.49870659 0.71941730      	#	108    	Zr36_s1
        0.97391240 0.40894796 0.85575131      	#	109    	Zr37_s1
        0.73209133 0.55426215 0.84678597      	#	110    	Zr38_s1
        0.97391240 0.46450351 0.21890793      	#	111    	Zr39_s1
        0.73209133 0.60981770 0.20994260      	#	112    	Zr40_s1
        0.97391240 0.52005907 0.34627661      	#	113    	Zr41_s1
        0.73209133 0.66537326 0.33731127      	#	114    	Zr42_s1
        0.97391240 0.57561462 0.47364528      	#	115    	Zr43_s1
        0.73209133 0.38759548 0.46467995      	#	116    	Zr44_s1
        0.97391240 0.63117018 0.60101396      	#	117    	Zr45_s1
        0.73209133 0.44315104 0.59204862      	#	118    	Zr46_s1
        0.97391240 0.35339240 0.72838263      	#	119    	Zr47_s1
        0.73209133 0.49870659 0.71941730      	#	120    	Zr48_s1
        0.47391240 0.07561462 0.85575131      	#	121    	Zr49_s1
        0.23209133 0.22092882 0.84678597      	#	122    	Zr50_s1
        0.47391240 0.13117018 0.21890793      	#	123    	Zr51_s1
        0.23209133 0.27648437 0.20994260      	#	124    	Zr52_s1
        0.47391240 0.18672574 0.34627661      	#	125    	Zr53_s1
        0.23209133 0.33203993 0.33731127      	#	126    	Zr54_s1
        0.47391240 0.24228129 0.47364528      	#	127    	Zr55_s1
        0.23209133 0.05426215 0.46467995      	#	128    	Zr56_s1
        0.47391240 0.29783685 0.60101396      	#	129    	Zr57_s1
        0.23209133 0.10981770 0.59204862      	#	130    	Zr58_s1
        0.47391240 0.02005907 0.72838263      	#	131    	Zr59_s1
        0.23209133 0.16537326 0.71941730      	#	132    	Zr60_s1
        0.97391240 0.07561462 0.85575131      	#	133    	Zr61_s1
        0.73209133 0.22092882 0.84678597      	#	134    	Zr62_s1
        0.97391240 0.13117018 0.21890793      	#	135    	Zr63_s1
        0.73209133 0.27648437 0.20994260      	#	136    	Zr64_s1
        0.97391240 0.18672574 0.34627661      	#	137    	Zr65_s1
        0.73209133 0.33203993 0.33731127      	#	138    	Zr66_s1
        0.97391240 0.24228129 0.47364528      	#	139    	Zr67_s1
        0.73209133 0.05426215 0.46467995      	#	140    	Zr68_s1
        0.97391240 0.29783685 0.60101396      	#	141    	Zr69_s1
        0.73209133 0.10981770 0.59204862      	#	142    	Zr70_s1
        0.97391240 0.02005907 0.72838263      	#	143    	Zr71_s1
        0.73209133 0.16537326 0.71941730      	#	144    	Zr72_s1
        0.15367086 0.94866740 0.80162870      	#	145    	O1_s1
        0.39973808 0.97985925 0.77546170      	#	146    	O2_s1
        0.33110280 0.66905440 0.83722956      	#	147    	O3_s1
        0.09189838 0.97068220 0.86621092      	#	148    	O4_s1
        0.36275522 0.81243219 0.81105737      	#	149    	O5_s1
        0.15722065 0.76499387 0.76312615      	#	150    	O6_s1
        0.11139805 0.79371458 0.82413065      	#	151    	O7_s1
        0.40107229 0.85814562 0.87371723      	#	152    	O8_s1
        0.15367086 0.67088962 0.16478532      	#	153    	O9_s1
        0.39973808 0.70208148 0.13861832      	#	154    	O10_s1
        0.33110280 0.72460995 0.20038619      	#	155    	O11_s1
        0.09189838 0.69290443 0.22936754      	#	156    	O12_s1
        0.36275522 0.86798775 0.17421400      	#	157    	O13_s1
        0.15722065 0.82054943 0.12628277      	#	158    	O14_s1
        0.11139805 0.84927013 0.18728728      	#	159    	O15_s1
        0.40107229 0.91370117 0.23687385      	#	160    	O16_s1
        0.15367086 0.72644518 0.29215400      	#	161    	O17_s1
        0.39973808 0.75763703 0.26598700      	#	162    	O18_s1
        0.33110280 0.78016551 0.32775486      	#	163    	O19_s1
        0.09189838 0.74845998 0.35673622      	#	164    	O20_s1
        0.36275522 0.92354330 0.30158267      	#	165    	O21_s1
        0.15722065 0.87610498 0.25365145      	#	166    	O22_s1
        0.11139805 0.90482569 0.31465595      	#	167    	O23_s1
        0.40107229 0.96925673 0.36424253      	#	168    	O24_s1
        0.15367086 0.78200074 0.41952267      	#	169    	O25_s1
        0.39973808 0.81319259 0.39335567      	#	170    	O26_s1
        0.33110280 0.83572107 0.45512354      	#	171    	O27_s1
        0.09189838 0.80401554 0.48410489      	#	172    	O28_s1
        0.36275522 0.97909886 0.42895135      	#	173    	O29_s1
        0.15722065 0.93166054 0.38102012      	#	174    	O30_s1
        0.11139805 0.96038124 0.44202463      	#	175    	O31_s1
        0.40107229 0.69147895 0.49161120      	#	176    	O32_s1
        0.15367086 0.83755629 0.54689135      	#	177    	O33_s1
        0.39973808 0.86874814 0.52072435      	#	178    	O34_s1
        0.33110280 0.89127662 0.58249221      	#	179    	O35_s1
        0.09189838 0.85957109 0.61147357      	#	180    	O36_s1
        0.36275522 0.70132108 0.55632002      	#	181    	O37_s1
        0.15722065 0.98721609 0.50838880      	#	182    	O38_s1
        0.11139805 0.68260347 0.56939330      	#	183    	O39_s1
        0.40107229 0.74703451 0.61897988      	#	184    	O40_s1
        0.15367086 0.89311185 0.67426002      	#	185    	O41_s1
        0.39973808 0.92430370 0.64809302      	#	186    	O42_s1
        0.33110280 0.94683218 0.70986089      	#	187    	O43_s1
        0.09189838 0.91512665 0.73884224      	#	188    	O44_s1
        0.36275522 0.75687664 0.68368870      	#	189    	O45_s1
        0.15722065 0.70943832 0.63575747      	#	190    	O46_s1
        0.11139805 0.73815902 0.69676198      	#	191    	O47_s1
        0.40107229 0.80259006 0.74634855      	#	192    	O48_s1
        0.65367086 0.94866740 0.80162870      	#	193    	O49_s1
        0.89973808 0.97985925 0.77546170      	#	194    	O50_s1
        0.83110280 0.66905440 0.83722956      	#	195    	O51_s1
        0.59189838 0.97068220 0.86621092      	#	196    	O52_s1
        0.86275522 0.81243219 0.81105737      	#	197    	O53_s1
        0.65722065 0.76499387 0.76312615      	#	198    	O54_s1
        0.61139805 0.79371458 0.82413065      	#	199    	O55_s1
        0.90107229 0.85814562 0.87371723      	#	200    	O56_s1
        0.65367086 0.67088962 0.16478532      	#	201    	O57_s1
        0.89973808 0.70208148 0.13861832      	#	202    	O58_s1
        0.83110280 0.72460995 0.20038619      	#	203    	O59_s1
        0.59189838 0.69290443 0.22936754      	#	204    	O60_s1
        0.86275522 0.86798775 0.17421400      	#	205    	O61_s1
        0.65722065 0.82054943 0.12628277      	#	206    	O62_s1
        0.61139805 0.84927013 0.18728728      	#	207    	O63_s1
        0.90107229 0.91370117 0.23687385      	#	208    	O64_s1
        0.65367086 0.72644518 0.29215400      	#	209    	O65_s1
        0.89973808 0.75763703 0.26598700      	#	210    	O66_s1
        0.83110280 0.78016551 0.32775486      	#	211    	O67_s1
        0.59189838 0.74845998 0.35673622      	#	212    	O68_s1
        0.86275522 0.92354330 0.30158267      	#	213    	O69_s1
        0.65722065 0.87610498 0.25365145      	#	214    	O70_s1
        0.61139805 0.90482569 0.31465595      	#	215    	O71_s1
        0.90107229 0.96925673 0.36424253      	#	216    	O72_s1
        0.65367086 0.78200074 0.41952267      	#	217    	O73_s1
        0.89973808 0.81319259 0.39335567      	#	218    	O74_s1
        0.83110280 0.83572107 0.45512354      	#	219    	O75_s1
        0.59189838 0.80401554 0.48410489      	#	220    	O76_s1
        0.86275522 0.97909886 0.42895135      	#	221    	O77_s1
        0.65722065 0.93166054 0.38102012      	#	222    	O78_s1
        0.61139805 0.96038124 0.44202463      	#	223    	O79_s1
        0.90107229 0.69147895 0.49161120      	#	224    	O80_s1
        0.65367086 0.83755629 0.54689135      	#	225    	O81_s1
        0.89973808 0.86874814 0.52072435      	#	226    	O82_s1
        0.83110280 0.89127662 0.58249221      	#	227    	O83_s1
        0.59189838 0.85957109 0.61147357      	#	228    	O84_s1
        0.86275522 0.70132108 0.55632002      	#	229    	O85_s1
        0.65722065 0.98721609 0.50838880      	#	230    	O86_s1
        0.61139805 0.68260347 0.56939330      	#	231    	O87_s1
        0.90107229 0.74703451 0.61897988      	#	232    	O88_s1
        0.65367086 0.89311185 0.67426002      	#	233    	O89_s1
        0.89973808 0.92430370 0.64809302      	#	234    	O90_s1
        0.83110280 0.94683218 0.70986089      	#	235    	O91_s1
        0.59189838 0.91512665 0.73884224      	#	236    	O92_s1
        0.86275522 0.75687664 0.68368870      	#	237    	O93_s1
        0.65722065 0.70943832 0.63575747      	#	238    	O94_s1
        0.61139805 0.73815902 0.69676198      	#	239    	O95_s1
        0.90107229 0.80259006 0.74634855      	#	240    	O96_s1
        0.15367086 0.61533407 0.80162870      	#	241    	O97_s1
        0.39973808 0.64652592 0.77546170      	#	242    	O98_s1
        0.33110280 0.33572107 0.83722956      	#	243    	O99_s1
        0.09189838 0.63734887 0.86621092      	#	244    	O100_s1
        0.36275522 0.47909886 0.81105737      	#	245    	O101_s1
        0.15722065 0.43166054 0.76312615      	#	246    	O102_s1
        0.11139805 0.46038124 0.82413065      	#	247    	O103_s1
        0.40107229 0.52481228 0.87371723      	#	248    	O104_s1
        0.15367086 0.33755629 0.16478532      	#	249    	O105_s1
        0.39973808 0.36874814 0.13861832      	#	250    	O106_s1
        0.33110280 0.39127662 0.20038619      	#	251    	O107_s1
        0.09189838 0.35957109 0.22936754      	#	252    	O108_s1
        0.36275522 0.53465442 0.17421400      	#	253    	O109_s1
        0.15722065 0.48721609 0.12628277      	#	254    	O110_s1
        0.11139805 0.51593680 0.18728728      	#	255    	O111_s1
        0.40107229 0.58036784 0.23687385      	#	256    	O112_s1
        0.15367086 0.39311185 0.29215400      	#	257    	O113_s1
        0.39973808 0.42430370 0.26598700      	#	258    	O114_s1
        0.33110280 0.44683218 0.32775486      	#	259    	O115_s1
        0.09189838 0.41512665 0.35673622      	#	260    	O116_s1
        0.36275522 0.59020997 0.30158267      	#	261    	O117_s1
        0.15722065 0.54277165 0.25365145      	#	262    	O118_s1
        0.11139805 0.57149235 0.31465595      	#	263    	O119_s1
        0.40107229 0.63592339 0.36424253      	#	264    	O120_s1
        0.15367086 0.44866740 0.41952267      	#	265    	O121_s1
        0.39973808 0.47985925 0.39335567      	#	266    	O122_s1
        0.33110280 0.50238773 0.45512354      	#	267    	O123_s1
        0.09189838 0.47068220 0.48410489      	#	268    	O124_s1
        0.36275522 0.64576553 0.42895135      	#	269    	O125_s1
        0.15722065 0.59832721 0.38102012      	#	270    	O126_s1
        0.11139805 0.62704791 0.44202463      	#	271    	O127_s1
        0.40107229 0.35814562 0.49161120      	#	272    	O128_s1
        0.15367086 0.50422296 0.54689135      	#	273    	O129_s1
        0.39973808 0.53541481 0.52072435      	#	274    	O130_s1
        0.33110280 0.55794329 0.58249221      	#	275    	O131_s1
        0.09189838 0.52623776 0.61147357      	#	276    	O132_s1
        0.36275522 0.36798775 0.55632002      	#	277    	O133_s1
        0.15722065 0.65388276 0.50838880      	#	278    	O134_s1
        0.11139805 0.34927013 0.56939330      	#	279    	O135_s1
        0.40107229 0.41370117 0.61897988      	#	280    	O136_s1
        0.15367086 0.55977851 0.67426002      	#	281    	O137_s1
        0.39973808 0.59097036 0.64809302      	#	282    	O138_s1
        0.33110280 0.61349884 0.70986089      	#	283    	O139_s1
        0.09189838 0.58179331 0.73884224      	#	284    	O140_s1
        0.36275522 0.42354330 0.68368870      	#	285    	O141_s1
        0.15722065 0.37610498 0.63575747      	#	286    	O142_s1
        0.11139805 0.40482569 0.69676198      	#	287    	O143_s1
        0.40107229 0.46925673 0.74634855      	#	288    	O144_s1
        0.65367086 0.61533407 0.80162870      	#	289    	O145_s1
        0.89973808 0.64652592 0.77546170      	#	290    	O146_s1
        0.83110280 0.33572107 0.83722956      	#	291    	O147_s1
        0.59189838 0.63734887 0.86621092      	#	292    	O148_s1
        0.86275522 0.47909886 0.81105737      	#	293    	O149_s1
        0.65722065 0.43166054 0.76312615      	#	294    	O150_s1
        0.61139805 0.46038124 0.82413065      	#	295    	O151_s1
        0.90107229 0.52481228 0.87371723      	#	296    	O152_s1
        0.65367086 0.33755629 0.16478532      	#	297    	O153_s1
        0.89973808 0.36874814 0.13861832      	#	298    	O154_s1
        0.83110280 0.39127662 0.20038619      	#	299    	O155_s1
        0.59189838 0.35957109 0.22936754      	#	300    	O156_s1
        0.86275522 0.53465442 0.17421400      	#	301    	O157_s1
        0.65722065 0.48721609 0.12628277      	#	302    	O158_s1
        0.61139805 0.51593680 0.18728728      	#	303    	O159_s1
        0.90107229 0.58036784 0.23687385      	#	304    	O160_s1
        0.65367086 0.39311185 0.29215400      	#	305    	O161_s1
        0.89973808 0.42430370 0.26598700      	#	306    	O162_s1
        0.83110280 0.44683218 0.32775486      	#	307    	O163_s1
        0.59189838 0.41512665 0.35673622      	#	308    	O164_s1
        0.86275522 0.59020997 0.30158267      	#	309    	O165_s1
        0.65722065 0.54277165 0.25365145      	#	310    	O166_s1
        0.61139805 0.57149235 0.31465595      	#	311    	O167_s1
        0.90107229 0.63592339 0.36424253      	#	312    	O168_s1
        0.65367086 0.44866740 0.41952267      	#	313    	O169_s1
        0.89973808 0.47985925 0.39335567      	#	314    	O170_s1
        0.83110280 0.50238773 0.45512354      	#	315    	O171_s1
        0.59189838 0.47068220 0.48410489      	#	316    	O172_s1
        0.86275522 0.64576553 0.42895135      	#	317    	O173_s1
        0.65722065 0.59832721 0.38102012      	#	318    	O174_s1
        0.61139805 0.62704791 0.44202463      	#	319    	O175_s1
        0.90107229 0.35814562 0.49161120      	#	320    	O176_s1
        0.65367086 0.50422296 0.54689135      	#	321    	O177_s1
        0.89973808 0.53541481 0.52072435      	#	322    	O178_s1
        0.83110280 0.55794329 0.58249221      	#	323    	O179_s1
        0.59189838 0.52623776 0.61147357      	#	324    	O180_s1
        0.86275522 0.36798775 0.55632002      	#	325    	O181_s1
        0.65722065 0.65388276 0.50838880      	#	326    	O182_s1
        0.61139805 0.34927013 0.56939330      	#	327    	O183_s1
        0.90107229 0.41370117 0.61897988      	#	328    	O184_s1
        0.65367086 0.55977851 0.67426002      	#	329    	O185_s1
        0.89973808 0.59097036 0.64809302      	#	330    	O186_s1
        0.83110280 0.61349884 0.70986089      	#	331    	O187_s1
        0.59189838 0.58179331 0.73884224      	#	332    	O188_s1
        0.86275522 0.42354330 0.68368870      	#	333    	O189_s1
        0.65722065 0.37610498 0.63575747      	#	334    	O190_s1
        0.61139805 0.40482569 0.69676198      	#	335    	O191_s1
        0.90107229 0.46925673 0.74634855      	#	336    	O192_s1
        0.15367086 0.28200074 0.80162870      	#	337    	O193_s1
        0.39973808 0.31319259 0.77546170      	#	338    	O194_s1
        0.33110280 0.00238773 0.83722956      	#	339    	O195_s1
        0.09189838 0.30401554 0.86621092      	#	340    	O196_s1
        0.36275522 0.14576553 0.81105737      	#	341    	O197_s1
        0.15722065 0.09832721 0.76312615      	#	342    	O198_s1
        0.11139805 0.12704791 0.82413065      	#	343    	O199_s1
        0.40107229 0.19147895 0.87371723      	#	344    	O200_s1
        0.15367086 0.00422296 0.16478532      	#	345    	O201_s1
        0.39973808 0.03541481 0.13861832      	#	346    	O202_s1
        0.33110280 0.05794329 0.20038619      	#	347    	O203_s1
        0.09189838 0.02623776 0.22936754      	#	348    	O204_s1
        0.36275522 0.20132108 0.17421400      	#	349    	O205_s1
        0.15722065 0.15388276 0.12628277      	#	350    	O206_s1
        0.11139805 0.18260347 0.18728728      	#	351    	O207_s1
        0.40107229 0.24703451 0.23687385      	#	352    	O208_s1
        0.15367086 0.05977851 0.29215400      	#	353    	O209_s1
        0.39973808 0.09097036 0.26598700      	#	354    	O210_s1
        0.33110280 0.11349884 0.32775486      	#	355    	O211_s1
        0.09189838 0.08179331 0.35673622      	#	356    	O212_s1
        0.36275522 0.25687664 0.30158267      	#	357    	O213_s1
        0.15722065 0.20943832 0.25365145      	#	358    	O214_s1
        0.11139805 0.23815902 0.31465595      	#	359    	O215_s1
        0.40107229 0.30259006 0.36424253      	#	360    	O216_s1
        0.15367086 0.11533407 0.41952267      	#	361    	O217_s1
        0.39973808 0.14652592 0.39335567      	#	362    	O218_s1
        0.33110280 0.16905440 0.45512354      	#	363    	O219_s1
        0.09189838 0.13734887 0.48410489      	#	364    	O220_s1
        0.36275522 0.31243219 0.42895135      	#	365    	O221_s1
        0.15722065 0.26499387 0.38102012      	#	366    	O222_s1
        0.11139805 0.29371458 0.44202463      	#	367    	O223_s1
        0.40107229 0.02481228 0.49161120      	#	368    	O224_s1
        0.15367086 0.17088962 0.54689135      	#	369    	O225_s1
        0.39973808 0.20208148 0.52072435      	#	370    	O226_s1
        0.33110280 0.22460995 0.58249221      	#	371    	O227_s1
        0.09189838 0.19290443 0.61147357      	#	372    	O228_s1
        0.36275522 0.03465442 0.55632002      	#	373    	O229_s1
        0.15722065 0.32054943 0.50838880      	#	374    	O230_s1
        0.11139805 0.01593680 0.56939330      	#	375    	O231_s1
        0.40107229 0.08036784 0.61897988      	#	376    	O232_s1
        0.15367086 0.22644518 0.67426002      	#	377    	O233_s1
        0.39973808 0.25763703 0.64809302      	#	378    	O234_s1
        0.33110280 0.28016551 0.70986089      	#	379    	O235_s1
        0.09189838 0.24845998 0.73884224      	#	380    	O236_s1
        0.36275522 0.09020997 0.68368870      	#	381    	O237_s1
        0.15722065 0.04277165 0.63575747      	#	382    	O238_s1
        0.11139805 0.07149235 0.69676198      	#	383    	O239_s1
        0.40107229 0.13592339 0.74634855      	#	384    	O240_s1
        0.65367086 0.28200074 0.80162870      	#	385    	O241_s1
        0.89973808 0.31319259 0.77546170      	#	386    	O242_s1
        0.83110280 0.00238773 0.83722956      	#	387    	O243_s1
        0.59189838 0.30401554 0.86621092      	#	388    	O244_s1
        0.86275522 0.14576553 0.81105737      	#	389    	O245_s1
        0.65722065 0.09832721 0.76312615      	#	390    	O246_s1
        0.61139805 0.12704791 0.82413065      	#	391    	O247_s1
        0.90107229 0.19147895 0.87371723      	#	392    	O248_s1
        0.65367086 0.00422296 0.16478532      	#	393    	O249_s1
        0.89973808 0.03541481 0.13861832      	#	394    	O250_s1
        0.83110280 0.05794329 0.20038619      	#	395    	O251_s1
        0.59189838 0.02623776 0.22936754      	#	396    	O252_s1
        0.86275522 0.20132108 0.17421400      	#	397    	O253_s1
        0.65722065 0.15388276 0.12628277      	#	398    	O254_s1
        0.61139805 0.18260347 0.18728728      	#	399    	O255_s1
        0.90107229 0.24703451 0.23687385      	#	400    	O256_s1
        0.65367086 0.05977851 0.29215400      	#	401    	O257_s1
        0.89973808 0.09097036 0.26598700      	#	402    	O258_s1
        0.83110280 0.11349884 0.32775486      	#	403    	O259_s1
        0.59189838 0.08179331 0.35673622      	#	404    	O260_s1
        0.86275522 0.25687664 0.30158267      	#	405    	O261_s1
        0.65722065 0.20943832 0.25365145      	#	406    	O262_s1
        0.61139805 0.23815902 0.31465595      	#	407    	O263_s1
        0.90107229 0.30259006 0.36424253      	#	408    	O264_s1
        0.65367086 0.11533407 0.41952267      	#	409    	O265_s1
        0.89973808 0.14652592 0.39335567      	#	410    	O266_s1
        0.83110280 0.16905440 0.45512354      	#	411    	O267_s1
        0.59189838 0.13734887 0.48410489      	#	412    	O268_s1
        0.86275522 0.31243219 0.42895135      	#	413    	O269_s1
        0.65722065 0.26499387 0.38102012      	#	414    	O270_s1
        0.61139805 0.29371458 0.44202463      	#	415    	O271_s1
        0.90107229 0.02481228 0.49161120      	#	416    	O272_s1
        0.65367086 0.17088962 0.54689135      	#	417    	O273_s1
        0.89973808 0.20208148 0.52072435      	#	418    	O274_s1
        0.83110280 0.22460995 0.58249221      	#	419    	O275_s1
        0.59189838 0.19290443 0.61147357      	#	420    	O276_s1
        0.86275522 0.03465442 0.55632002      	#	421    	O277_s1
        0.65722065 0.32054943 0.50838880      	#	422    	O278_s1
        0.61139805 0.01593680 0.56939330      	#	423    	O279_s1
        0.90107229 0.08036784 0.61897988      	#	424    	O280_s1
        0.65367086 0.22644518 0.67426002      	#	425    	O281_s1
        0.89973808 0.25763703 0.64809302      	#	426    	O282_s1
        0.83110280 0.28016551 0.70986089      	#	427    	O283_s1
        0.59189838 0.24845998 0.73884224      	#	428    	O284_s1
        0.86275522 0.09020997 0.68368870      	#	429    	O285_s1
        0.65722065 0.04277165 0.63575747      	#	430    	O286_s1
        0.61139805 0.07149235 0.69676198      	#	431    	O287_s1
        0.90107229 0.13592339 0.74634855      	#	432    	O288_s1
        0.06944444 0.15277778 0.97418643      	#	433    	Ti1_s2
        0.06944444 0.15277778 0.07744072      	#	434    	Ti2_s2
        0.09722222 0.01388889 0.02581357      	#	435    	Ti3_s2
        0.29166667 0.04166667 0.97418643      	#	436    	Ti4_s2
        0.09722222 0.01388889 0.92255928      	#	437    	Ti5_s2
        0.29166667 0.04166667 0.07744072      	#	438    	Ti6_s2
        0.01388889 0.43055556 0.97418643      	#	439    	Ti7_s2
        0.01388889 0.43055556 0.07744072      	#	440    	Ti8_s2
        0.04166667 0.29166667 0.02581357      	#	441    	Ti9_s2
        0.23611111 0.31944444 0.97418643      	#	442    	Ti10_s2
        0.04166667 0.29166667 0.92255928      	#	443    	Ti11_s2
        0.23611111 0.31944444 0.07744072      	#	444    	Ti12_s2
        0.26388889 0.18055556 0.02581357      	#	445    	Ti13_s2
        0.45833333 0.20833333 0.97418643      	#	446    	Ti14_s2
        0.26388889 0.18055556 0.92255928      	#	447    	Ti15_s2
        0.45833333 0.20833333 0.07744072      	#	448    	Ti16_s2
        0.48611111 0.06944444 0.02581357      	#	449    	Ti17_s2
        0.68055556 0.09722222 0.97418643      	#	450    	Ti18_s2
        0.48611111 0.06944444 0.92255928      	#	451    	Ti19_s2
        0.68055556 0.09722222 0.07744072      	#	452    	Ti20_s2
        0.18055556 0.59722222 0.97418643      	#	453    	Ti21_s2
        0.18055556 0.59722222 0.07744072      	#	454    	Ti22_s2
        0.20833333 0.45833333 0.02581357      	#	455    	Ti23_s2
        0.40277778 0.48611111 0.97418643      	#	456    	Ti24_s2
        0.20833333 0.45833333 0.92255928      	#	457    	Ti25_s2
        0.40277778 0.48611111 0.07744072      	#	458    	Ti26_s2
        0.43055556 0.34722222 0.02581357      	#	459    	Ti27_s2
        0.62500000 0.37500000 0.97418643      	#	460    	Ti28_s2
        0.43055556 0.34722222 0.92255928      	#	461    	Ti29_s2
        0.62500000 0.37500000 0.07744072      	#	462    	Ti30_s2
        0.65277778 0.23611111 0.02581357      	#	463    	Ti31_s2
        0.84722222 0.26388889 0.97418643      	#	464    	Ti32_s2
        0.65277778 0.23611111 0.92255928      	#	465    	Ti33_s2
        0.84722222 0.26388889 0.07744072      	#	466    	Ti34_s2
        0.87500000 0.12500000 0.02581357      	#	467    	Ti35_s2
        0.87500000 0.12500000 0.92255928      	#	468    	Ti36_s2
        0.12500000 0.87500000 0.97418643      	#	469    	Ti37_s2
        0.12500000 0.87500000 0.07744072      	#	470    	Ti38_s2
        0.15277778 0.73611111 0.02581357      	#	471    	Ti39_s2
        0.34722222 0.76388889 0.97418643      	#	472    	Ti40_s2
        0.15277778 0.73611111 0.92255928      	#	473    	Ti41_s2
        0.34722222 0.76388889 0.07744072      	#	474    	Ti42_s2
        0.37500000 0.62500000 0.02581357      	#	475    	Ti43_s2
        0.56944444 0.65277778 0.97418643      	#	476    	Ti44_s2
        0.37500000 0.62500000 0.92255928      	#	477    	Ti45_s2
        0.56944444 0.65277778 0.07744072      	#	478    	Ti46_s2
        0.59722222 0.51388889 0.02581357      	#	479    	Ti47_s2
        0.79166667 0.54166667 0.97418643      	#	480    	Ti48_s2
        0.59722222 0.51388889 0.92255928      	#	481    	Ti49_s2
        0.79166667 0.54166667 0.07744072      	#	482    	Ti50_s2
        0.81944444 0.40277778 0.02581357      	#	483    	Ti51_s2
        0.81944444 0.40277778 0.92255928      	#	484    	Ti52_s2
        0.31944444 0.90277778 0.02581357      	#	485    	Ti53_s2
        0.51388889 0.93055556 0.97418643      	#	486    	Ti54_s2
        0.31944444 0.90277778 0.92255928      	#	487    	Ti55_s2
        0.51388889 0.93055556 0.07744072      	#	488    	Ti56_s2
        0.54166667 0.79166667 0.02581357      	#	489    	Ti57_s2
        0.73611111 0.81944444 0.97418643      	#	490    	Ti58_s2
        0.54166667 0.79166667 0.92255928      	#	491    	Ti59_s2
        0.73611111 0.81944444 0.07744072      	#	492    	Ti60_s2
        0.76388889 0.68055556 0.02581357      	#	493    	Ti61_s2
        0.95833333 0.70833333 0.97418643      	#	494    	Ti62_s2
        0.76388889 0.68055556 0.92255928      	#	495    	Ti63_s2
        0.95833333 0.70833333 0.07744072      	#	496    	Ti64_s2
        0.98611111 0.56944444 0.02581357      	#	497    	Ti65_s2
        0.98611111 0.56944444 0.92255928      	#	498    	Ti66_s2
        0.70833333 0.95833333 0.02581357      	#	499    	Ti67_s2
        0.90277778 0.98611111 0.97418643      	#	500    	Ti68_s2
        0.70833333 0.95833333 0.92255928      	#	501    	Ti69_s2
        0.90277778 0.98611111 0.07744072      	#	502    	Ti70_s2
        0.93055556 0.84722222 0.02581357      	#	503    	Ti71_s2
        0.93055556 0.84722222 0.92255928      	#	504    	Ti72_s2
        0.06944444 0.15277778 0.92255928      	#	505    	N1_s2
        0.06944444 0.15277778 0.02581357      	#	506    	N2_s2
        0.09722222 0.01388889 0.07744072      	#	507    	N3_s2
        0.29166667 0.04166667 0.92255928      	#	508    	N4_s2
        0.09722222 0.01388889 0.97418643      	#	509    	N5_s2
        0.29166667 0.04166667 0.02581357      	#	510    	N6_s2
        0.01388889 0.43055556 0.92255928      	#	511    	N7_s2
        0.01388889 0.43055556 0.02581357      	#	512    	N8_s2
        0.04166667 0.29166667 0.07744072      	#	513    	N9_s2
        0.23611111 0.31944444 0.92255928      	#	514    	N10_s2
        0.04166667 0.29166667 0.97418643      	#	515    	N11_s2
        0.23611111 0.31944444 0.02581357      	#	516    	N12_s2
        0.26388889 0.18055556 0.07744072      	#	517    	N13_s2
        0.45833333 0.20833333 0.92255928      	#	518    	N14_s2
        0.26388889 0.18055556 0.97418643      	#	519    	N15_s2
        0.45833333 0.20833333 0.02581357      	#	520    	N16_s2
        0.48611111 0.06944444 0.07744072      	#	521    	N17_s2
        0.68055556 0.09722222 0.92255928      	#	522    	N18_s2
        0.48611111 0.06944444 0.97418643      	#	523    	N19_s2
        0.68055556 0.09722222 0.02581357      	#	524    	N20_s2
        0.18055556 0.59722222 0.92255928      	#	525    	N21_s2
        0.18055556 0.59722222 0.02581357      	#	526    	N22_s2
        0.20833333 0.45833333 0.07744072      	#	527    	N23_s2
        0.40277778 0.48611111 0.92255928      	#	528    	N24_s2
        0.20833333 0.45833333 0.97418643      	#	529    	N25_s2
        0.40277778 0.48611111 0.02581357      	#	530    	N26_s2
        0.43055556 0.34722222 0.07744072      	#	531    	N27_s2
        0.62500000 0.37500000 0.92255928      	#	532    	N28_s2
        0.43055556 0.34722222 0.97418643      	#	533    	N29_s2
        0.62500000 0.37500000 0.02581357      	#	534    	N30_s2
        0.65277778 0.23611111 0.07744072      	#	535    	N31_s2
        0.84722222 0.26388889 0.92255928      	#	536    	N32_s2
        0.65277778 0.23611111 0.97418643      	#	537    	N33_s2
        0.84722222 0.26388889 0.02581357      	#	538    	N34_s2
        0.87500000 0.12500000 0.07744072      	#	539    	N35_s2
        0.87500000 0.12500000 0.97418643      	#	540    	N36_s2
        0.12500000 0.87500000 0.92255928      	#	541    	N37_s2
        0.12500000 0.87500000 0.02581357      	#	542    	N38_s2
        0.15277778 0.73611111 0.07744072      	#	543    	N39_s2
        0.34722222 0.76388889 0.92255928      	#	544    	N40_s2
        0.15277778 0.73611111 0.97418643      	#	545    	N41_s2
        0.34722222 0.76388889 0.02581357      	#	546    	N42_s2
        0.37500000 0.62500000 0.07744072      	#	547    	N43_s2
        0.56944444 0.65277778 0.92255928      	#	548    	N44_s2
        0.37500000 0.62500000 0.97418643      	#	549    	N45_s2
        0.56944444 0.65277778 0.02581357      	#	550    	N46_s2
        0.59722222 0.51388889 0.07744072      	#	551    	N47_s2
        0.79166667 0.54166667 0.92255928      	#	552    	N48_s2
        0.59722222 0.51388889 0.97418643      	#	553    	N49_s2
        0.79166667 0.54166667 0.02581357      	#	554    	N50_s2
        0.81944444 0.40277778 0.07744072      	#	555    	N51_s2
        0.81944444 0.40277778 0.97418643      	#	556    	N52_s2
        0.31944444 0.90277778 0.07744072      	#	557    	N53_s2
        0.51388889 0.93055556 0.92255928      	#	558    	N54_s2
        0.31944444 0.90277778 0.97418643      	#	559    	N55_s2
        0.51388889 0.93055556 0.02581357      	#	560    	N56_s2
        0.54166667 0.79166667 0.07744072      	#	561    	N57_s2
        0.73611111 0.81944444 0.92255928      	#	562    	N58_s2
        0.54166667 0.79166667 0.97418643      	#	563    	N59_s2
        0.73611111 0.81944444 0.02581357      	#	564    	N60_s2
        0.76388889 0.68055556 0.07744072      	#	565    	N61_s2
        0.95833333 0.70833333 0.92255928      	#	566    	N62_s2
        0.76388889 0.68055556 0.97418643      	#	567    	N63_s2
        0.95833333 0.70833333 0.02581357      	#	568    	N64_s2
        0.98611111 0.56944444 0.07744072      	#	569    	N65_s2
        0.98611111 0.56944444 0.97418643      	#	570    	N66_s2
        0.70833333 0.95833333 0.07744072      	#	571    	N67_s2
        0.90277778 0.98611111 0.92255928      	#	572    	N68_s2
        0.70833333 0.95833333 0.97418643      	#	573    	N69_s2
        0.90277778 0.98611111 0.02581357      	#	574    	N70_s2
        0.93055556 0.84722222 0.07744072      	#	575    	N71_s2
        0.93055556 0.84722222 0.97418643      	#	576    	N72_s2