forked from lijiext/lammps
449 lines
3.5 KiB
Plaintext
449 lines
3.5 KiB
Plaintext
|
Cu
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||
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2.556162
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1.554485
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21.175871
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21.175395
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8.127620
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4.334731
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0.396620
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0.548085
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0.308782
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0.756515
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-2.170269
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-0.263788
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1.088878
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-0.817603
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-2.19
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0.00
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0.561830
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-2.100595
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0.310490
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-2.186568
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29
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63.546
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-2.100595
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4.334731
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0.756515
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0.85
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1.15
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Ag
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2.891814
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1.106232
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14.604100
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14.604144
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9.132010
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4.870405
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0.277758
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0.419611
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0.339710
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0.750758
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-1.729364
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-0.255882
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0.912050
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-0.561432
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-1.75
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0.00
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0.744561
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-1.150650
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0.783924
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-1.748423
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47
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107.8682
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-1.150650
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4.870405
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0.750758
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0.85
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1.15
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Au
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2.885034
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1.529021
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19.991632
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19.991509
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9.516052
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5.075228
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0.229762
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0.356666
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0.356570
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0.748798
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-2.937772
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-0.500288
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1.601954
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-0.835530
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-2.98
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0.00
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1.706587
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-1.134778
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1.021095
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-2.978815
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79
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196.96654
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-1.134778
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5.075228
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0.748798
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0.85
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1.15
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Ni
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2.488746
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2.007018
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27.562015
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27.562031
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8.383453
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4.471175
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0.429046
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0.633531
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0.443599
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0.820658
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-2.693513
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-0.076445
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0.241442
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-2.375626
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-2.70
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0.00
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0.265390
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-0.152856
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0.445470
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-2.7
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28
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58.6934
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-0.152856
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4.471175
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0.820658
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0.85
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1.15
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Pd
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2.750897
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1.595417
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21.335246
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21.940073
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8.697397
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4.638612
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0.406763
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0.598880
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0.397263
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0.754799
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-2.321006
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-0.473983
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1.615343
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-0.231681
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-2.36
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0.00
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1.481742
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-1.675615
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1.130000
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-2.352753
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46
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106.42
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-1.675615
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4.638612
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0.754799
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0.85
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1.15
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Pt
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2.771916
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2.336509
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33.367564
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35.205357
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7.105782
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3.789750
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0.556398
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0.696037
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0.385255
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0.770510
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-1.455568
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-2.149952
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0.528491
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1.222875
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-4.17
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0.00
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3.010561
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-2.420128
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1.450000
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-4.145597
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78
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195.08
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-2.420128
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3.789750
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0.770510
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0.25
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1.15
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Al
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2.863924
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1.403115
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20.418205
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23.195740
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6.613165
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3.527021
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0.314873
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0.365551
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0.379846
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0.759692
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-2.807602
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-0.301435
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1.258562
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-1.247604
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-2.83
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0.00
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0.622245
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-2.488244
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0.785902
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-2.824528
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13
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26.981539
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-2.488244
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3.527021
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0.759692
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0.85
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1.15
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Pb
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3.499723
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0.647872
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8.450154
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8.450063
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9.121799
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5.212457
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0.161219
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0.236884
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0.250805
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0.764955
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-1.422370
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-0.210107
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0.682886
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-0.529378
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-1.44
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|
|
0.00
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0.702726
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-0.538766
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|
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0.935380
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|
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-1.439436
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|
|
82
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|
|
207.2
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|
|
-0.538766
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|
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5.212457
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0.764955
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0.85
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1.15
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Fe
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2.481987
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1.885957
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20.041463
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20.041463
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9.818270
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5.236411
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0.392811
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0.646243
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0.170306
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0.340613
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-2.534992
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-0.059605
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0.193065
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-2.282322
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-2.54
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|
|
0.00
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0.200269
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-0.148770
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|
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0.391750
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|
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-2.539945
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||
|
|
26
|
||
|
|
55.847
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|
|
-0.148770
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||
|
|
5.236411
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||
|
|
0.340613
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|
|
0.85
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||
|
|
1.15
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|
|
Mo
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2.728100
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|
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2.723710
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29.354065
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29.354065
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||
|
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8.393531
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|
|
4.476550
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||
|
|
0.708787
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||
|
|
1.120373
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|
|
0.137640
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||
|
|
0.275280
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|
|
-3.692913
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|
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-0.178812
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|
|
0.380450
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||
|
|
-3.133650
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|
|
-3.71
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||
|
|
0.00
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||
|
|
0.875874
|
||
|
|
0.776222
|
||
|
|
0.790879
|
||
|
|
-3.712093
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||
|
|
42
|
||
|
|
95.94
|
||
|
|
0.776222
|
||
|
|
4.476550
|
||
|
|
0.275280
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||
|
|
0.85
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||
|
|
1.15
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||
|
|
Ta
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|
|
2.860082
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||
|
|
3.086341
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|
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33.787168
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|
|
33.787168
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||
|
|
8.489528
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||
|
|
4.527748
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||
|
|
0.611679
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||
|
|
1.032101
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|
|
0.176977
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|
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0.353954
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||
|
|
-5.103845
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|
|
-0.405524
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||
|
|
1.112997
|
||
|
|
-3.585325
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||
|
|
-5.14
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||
|
|
0.00
|
||
|
|
1.640098
|
||
|
|
0.221375
|
||
|
|
0.848843
|
||
|
|
-5.141526
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||
|
|
73
|
||
|
|
180.9479
|
||
|
|
0.221375
|
||
|
|
4.527748
|
||
|
|
0.353954
|
||
|
|
0.85
|
||
|
|
1.15
|
||
|
|
W
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|
|
2.740840
|
||
|
|
3.487340
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||
|
|
37.234847
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||
|
|
37.234847
|
||
|
|
8.900114
|
||
|
|
4.746728
|
||
|
|
0.882435
|
||
|
|
1.394592
|
||
|
|
0.139209
|
||
|
|
0.278417
|
||
|
|
-4.946281
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||
|
|
-0.148818
|
||
|
|
0.365057
|
||
|
|
-4.432406
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||
|
|
-4.96
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||
|
|
0.00
|
||
|
|
0.661935
|
||
|
|
0.348147
|
||
|
|
0.582714
|
||
|
|
-4.961306
|
||
|
|
74
|
||
|
|
183.84
|
||
|
|
0.348147
|
||
|
|
4.746728
|
||
|
|
0.278417
|
||
|
|
0.85
|
||
|
|
1.15
|
||
|
|
Mg
|
||
|
|
3.196291
|
||
|
|
0.544323
|
||
|
|
7.132600
|
||
|
|
7.132600
|
||
|
|
10.228708
|
||
|
|
5.455311
|
||
|
|
0.137518
|
||
|
|
0.225930
|
||
|
|
0.5
|
||
|
|
1.0
|
||
|
|
-0.896473
|
||
|
|
-0.044291
|
||
|
|
0.162232
|
||
|
|
-0.689950
|
||
|
|
-0.90
|
||
|
|
0.00
|
||
|
|
0.122838
|
||
|
|
-0.226010
|
||
|
|
0.431425
|
||
|
|
-0.899702
|
||
|
|
12
|
||
|
|
24.305
|
||
|
|
-0.226010
|
||
|
|
5.455311
|
||
|
|
1.0
|
||
|
|
0.85
|
||
|
|
1.15
|
||
|
|
Co
|
||
|
|
2.505979
|
||
|
|
1.975299
|
||
|
|
27.206789
|
||
|
|
27.206789
|
||
|
|
8.679625
|
||
|
|
4.629134
|
||
|
|
0.421378
|
||
|
|
0.640107
|
||
|
|
0.5
|
||
|
|
1.0
|
||
|
|
-2.541799
|
||
|
|
-0.219415
|
||
|
|
0.733381
|
||
|
|
-1.589003
|
||
|
|
-2.56
|
||
|
|
0.00
|
||
|
|
0.705845
|
||
|
|
-0.687140
|
||
|
|
0.694608
|
||
|
|
-2.559307
|
||
|
|
27
|
||
|
|
58.9332
|
||
|
|
-0.687140
|
||
|
|
4.629134
|
||
|
|
1.0
|
||
|
|
0.85
|
||
|
|
1.15
|
||
|
|
Ti
|
||
|
|
2.933872
|
||
|
|
1.863200
|
||
|
|
25.565138
|
||
|
|
25.565138
|
||
|
|
8.775431
|
||
|
|
4.680230
|
||
|
|
0.373601
|
||
|
|
0.570968
|
||
|
|
0.5
|
||
|
|
1.0
|
||
|
|
-3.203773
|
||
|
|
-0.198262
|
||
|
|
0.683779
|
||
|
|
-2.321732
|
||
|
|
-3.22
|
||
|
|
0.00
|
||
|
|
0.608587
|
||
|
|
-0.750710
|
||
|
|
0.558572
|
||
|
|
-3.219176
|
||
|
|
22
|
||
|
|
47.88
|
||
|
|
-0.750710
|
||
|
|
4.680230
|
||
|
|
1.0
|
||
|
|
0.85
|
||
|
|
1.15
|
||
|
|
Zr
|
||
|
|
3.199978
|
||
|
|
2.230909
|
||
|
|
30.879991
|
||
|
|
30.879991
|
||
|
|
8.559190
|
||
|
|
4.564902
|
||
|
|
0.424667
|
||
|
|
0.640054
|
||
|
|
0.5
|
||
|
|
1.0
|
||
|
|
-4.485793
|
||
|
|
-0.293129
|
||
|
|
0.990148
|
||
|
|
-3.202516
|
||
|
|
-4.51
|
||
|
|
0.00
|
||
|
|
0.928602
|
||
|
|
-0.981870
|
||
|
|
0.597133
|
||
|
|
-4.509025
|
||
|
|
40
|
||
|
|
91.224
|
||
|
|
-0.981870
|
||
|
|
4.564902
|
||
|
|
1.0
|
||
|
|
0.85
|
||
|
|
1.15
|