meam data from vax files fcc,bcc,dia    11/4/92 new bcc 12/28/95
 elt        lat     z       ielement     atwt
 alpha      b0      b1      b2           b3    alat    esub    asub
 t0         t1              t2           t3            rozero  ibar
'Am'        'fcc'  12.      95           243.
2.73    2.0000  1.1400  9.9100  2.6201  4.8030  6.3010  1.1000
1.0000  6.0000   0.6570 -1.4783 1.2000  0
'Am'        'fcc'  12.      95           243.
2.71        2.00    1.14    6.85         2.0   4.810   6.30    0.97
1.0        -2.55           -0.26         +10.00         0.200    0
'SiG'        'dia'   4.      14           28.086
4.87        4.1     4.0     1.5          3.5   5.431   4.63    1.
1.0         1.75            4.47         -1.80         1.000    0
'B'          'dia'    4.      5           10.811
3.90        3.20   +1.5     1.0          4.0   4.043   5.49    1.00
1.0        +1.00           -2.00          0.40         2.000   -0
'Pu5'        'fcc'   12.     94           238.
3.3100  2.3600  1.0000  6.0000  9.0000  4.6400  3.8000  1.1450
1.0000  1.0000  4.0700  -0.5500 1.0000  0
'Pux'        'fcc'   12.     94           238.
3.31        2.39    1.0     6.0          9.0   4.640   3.80    1.05
1.0        +1.00            4.14        -0.00          1.0     0
'Pux'        'fcc'   12.     94           238.
3.3100  2.3600  1.0000  6.0000  9.0000  4.6400  3.8000  1.1450
1.0000  1.0000  4.0700  -0.5500 1.0000  0
'Pux'        'fcc'   12.     94           238.
3.3100  2.3400  1.0000  6.0000  8.2000  4.6400  3.8000  1.0900
1.0000  1.0000  3.9900  -1.0000 1.0000  0
'Pux'        'fcc'   12.     94           238.
3.3100  2.3900  1.0000  6.0000  8.3000  4.6400  3.8000  1.0500
1.0000  1.0000  4.1400  -1.0000 1.0000  0
'Pu5'        'fcc'   12.     94           238.
3.31        2.39    1.0     6.0          7.50  4.640   3.80    1.05
1.0        +1.00            4.14        -1.50          1.0     0
'Pu4'        'fcc'   12.     94           238.
3.31        2.39    1.0     6.0          9.0   4.640   3.80    1.05
1.0        +1.00            4.14        -0.80          1.0     0
'Pu3'        'fcc'   12.     94           238.
3.37        2.44    1.0     6.0          9.0   4.640   3.65    1.05
1.0        +1.00            4.32        -1.00          1.0     0
'Al6'       'fcc'   12.     13           26.9815
4.64      3.5000    4.3480    2.0000    2.2002 4.05    3.36    1.00 
1.0        -0.3432   +5.4800             8.3           0.40    0
'Al5'       'fcc'   12.     13           26.9815
4.61      1.2638    4.3480    7.0054    2.2002 4.05    3.36    1.10 
1.0        -0.3432   -1.6872             8.3           0.40    0
'Al4'       'fcc'   12.     13           26.9815
4.61      1.2638    4.3480    7.0054    2.2002 4.05    3.36    1.10 
1.0        -0.3432   -1.6872             8.3           0.40    3
'Al3'        'fcc'   12.     13           26.9815
4.64        3.60    -0.91   0.22         0.00  4.05    3.353   0.97
1.0         -1.21            3.01        8.01          1.0     0
'Als'        'fcc'   12.     13           26.9815
4.61        2.21    1.50    6.0          1.50  4.05    3.58    1.07
1.0          3.70           -2.21        8.01          0.6     0
'Al2'        'fcc'   12.     13           26.9815
4.64        2.00     3.81   8.3          0.00  4.05    3.353   1.00
1.0          1.51           -1.08        8.01          1.0     0
'Ti1'       'fcc'   12.      22           47.88
4.65        3.24   0.00    2.51         1.5  4.13  4.81     0.90
1.0         0.82           11.97       -08.0          1.0     0
'Au1'        'fcc'   12.     79           196.967
6.34090112  5.45    2.20    6            2.20  4.07    3.93    1.04
1.0         3.15            1.51         2.60          1.      0
'Al1'        'fcc'   12.     13           26.9815
4.61        3.40     3.48   0.16         0.00  4.05    3.353   1.07
1.0          1.002           2.697       8.00          1.0     0
'Ni4'        'fcc'   12.     28           58.71
4.99        2.45    1.50    6            1.50  3.52    4.45    1.10
1.0         5.79            1.60         3.70           1.0    0
'Ni1'        'fcc'   12.     28           58.71
4.99        3.52    1.50    3.95         1.50  3.52    4.45    1.00
1.0         3.57            16.53        3.70           1.0    0
'Ga4'        'fcc'   12.     31           69.723
4.42        4.80    3.10    6.00        +0.50  4.247   2.897   0.97
1.0          2.72             2.06       -4.00          0.60    0
'Ga4'        'fcc'   12.     31           69.723
4.42        4.80    3.10    6.00        +0.50  4.247   2.897   0.97
1.0          2.72             2.06       -4.00          0.630   0
'Ga3'        'fcc'   12.     31           69.723
4.42        4.58    4.14   09.00        +8.00  4.247   2.897   0.98
1.0          4.31            2.38       -0.50          1.0     10
'Ga2'        'fcc'   12.     31           69.723
4.24        4.01   10.34    3.82         3.00  4.244   2.903   1.02
1.0          0.37            5.90       -1.50          1.0     0
'Ga1'        'fcc'   12.     31           69.723
4.51        4.03    2.00    4.15         1.50  4.247   2.911   1.04
1.0          4.50           1.77       -2.00          0.7     0
'Ga'        'fcc'   12.     31           69.723
4.51        4.03    2.71    4.15         1.50  4.247   2.911   1.04
1.0          3.37           1.77       -2.00          1.0     0
'Pu1'        'fcc'   12.     94           238.
3.32        2.27    2.00    6.0          7.70  4.640   3.8     1.10
1.0         5.50            3.75        -2.2            1.0    0
'Pu2'        'fcc'   12.     94           238.
3.32        2.40    3.1     6.0          3.5   4.640   3.8     1.08
1.0         6.8             4.10        -3.0            1.0    0
'Pu'        'fcc'   12.     94           238.
3.32        2.27    4.00    6.0          3.30  4.640   3.8     1.10
1.0         7.80            3.75       -10.7            1.0    0
'Be'       'hcp'   12.      50           118.
3.85        0.00   2.0     5.5          1.0  2.25  3.43     1.30
1.0        12.00           12.0        -19.0          1.      0
'Y'       'hcp'   12.      39           88.9059
4.17        0.00   0.0     1.00         2.0  3.60  4.41     1.05
1.0         5.5             8.0        -10.0          1.2     0
'Tl'       'hcp'   12.      81           204.383
5.63        4.00   0.0     0.00         1.0  3.43  1.87     1.11
1.0        11.0            -1.0        -05.0          1.2     0
'Tb'       'hcp'   12.      65           158.9253
4.26        0.00   0.0     0.00         1.0  3.56  3.58     1.05
1.0        11.0             3.0        -10.0          1.2     0
'Ru'       'hcp'   12.      44           101.07
5.91        1.00   0.0     0.60         5.0  2.68  6.74     1.11
1.0         8.0            19.3        -13.0          1.2     4
'Ru1'       'hcp'   12.      44           101.07
5.91        1.30   0.0     0.50         2.5  2.68  6.74     1.11
1.0         7.0            10.0        -15.0          1.2     0
'Pr'       'hcp'   12.      59           140.9077
4.03        1.00   0.0     5.00         1.0  3.67  3.45     1.05
1.0         7.0             1.0        -03.0          1.2     0
'Nd'       'hcp'   12.      60           144.24
4.27        1.00   0.0     4.00         1.0  3.66  3.36     1.05
1.0         7.0             1.0        -03.0          1.2     0
'Ho'       'hcp'   12.      67           164.9303
5.05        1.00   0.0     0.50         1.7  3.53  2.80     1.05
1.0        11.0             9.0        -15.0          1.2     0
'Hf'       'hcp'   12.      72           178.49
4.63        1.00   0.0     1.90         1.0  3.16  6.35     1.20
1.0         9.5             6.0        -10.0          1.2     0
'Gd'       'hcp'   12.      64           157.25
4.10        1.00   0.0     0.50         2.0  3.60  4.18     1.05
1.0         6.0             4.4        -06.0          1.2     0
'Er'       'hcp'   12.      68           167.26
5.04        1.40   0.0     0.60         2.0  3.51  3.04     1.05
1.0        11.0             9.0        -15.0          1.2     0
'Dy'       'hcp'   12.      66           162.5
5.18        1.00   0.0     1.00         1.4  3.55  2.68     1.05
1.0        11.0            10.0        -16.0          1.2     0
'Sc'       'hcp'   12.      21           44.9559
4.49        1.00   0.0     1.50         1.0  3.28  3.89     1.05
1.0         8.50            4.0        -09.0          1.2     0
'Co'       'hcp'   12.      27           58.9332
5.12        2.10   0.0     1.00         6.0  2.50  4.41     1.05
1.0         9.00           -1.0        -01.0          1.2     0
'Ti'       'hcp'   12.      22           47.88
4.63        1.50   0.0     2.00         1.0  2.92  4.87     1.17
1.0         7.50           13.0        -09.0          1.2     0
'Ti3'    'hcp'   12      22      47.90
4.3402   3.51 -1.045 3.465 -4.587  2.94 5.869  0.822
1.000  4.153 8.842 -9.999 1.0000 0
'Zr1'       'hcp'   12.      40           91.224
4.46        2.40   0.0     2.30         1.0  3.20  6.36     1.13
1.0         9.00           02.0        -04.0          1.0     0
'ZrN' 'fcc'  12.00   40   91.2240
   4.4600  3.7000  1.0000  5.7000  1.0000  4.5330  6.3250  1.0300
   1.0000  5.0000  4.5000 -3.5000  0.630  0
'Zr'       'hcp'   12.      40           91.224
4.46        2.40   0.0     2.30         1.0  3.20  6.36     1.13
1.0         9.00           02.0        -04.0          1.2     0
'Mg'       'hcp'   12.      12           24.305
5.45        2.70   0.0     0.35         3.0  3.20  1.55     1.11
1.0         8.00           04.1        -02.0          1.0     0
'Re'        'hcp'   12.      75           186.207
6.11     1.40      0.         2.00       6.0000  2.750       8.09  	1.09
1.0000    6.5   6.0000   -3.0000        1 +0
'FeL'        'bcc'    8.      26           55.847
5.067    3.67       1.0       1.0        1.0000  2.864        4.290	0.57
1.0000   2.9    1.0      -8.5000        1  -0
'FeL'        'bcc'    8.      26           55.847
5.067    3.67       1.0       1.0        1.0000  2.864        4.290	0.57
1.0000   2.9    1.0      -8.5000        1  -3
'FeL'        'bcc'    8.      26           55.847
5.067    3.67       1.0       0.27       1.0000  2.864        4.290	0.57
1.0000   2.9    9.0      -8.5000        1  -0
'Fef'        'fcc'   12.      26           55.847
5.0541   5.6913    11.0000    6.5677     6.0000  3.6265      4.2350	1
1.0000   15.    7.5596   -1.5000        1 -3
'Crf'        'fcc'   12.      24           51.996
5.1040   6.1749    1.0000    4.9298    1.0000  3.6594     4.0100	1
1.0000   -5.7898   25.0533   -1.9000        1 -3
'VZ'         'fcc'   12.      23           50.942
5.0722	6.6216	7.5932	8.7258	0.0002	3.8204	5.0708	1.3310
1.0000	8.3868	3.5318	5.4626	1.0000	0
'VZ'         'fcc'   12.      23           50.942
5.0722   5.0740    1.1312    6.4796    5.2661  3.8204       5.0708 	1.2006
1.0000    7.4146    3.8001    6.0460        1  0
'Vf'         'fcc'   12.      23           50.942
4.7815   6.0104    1.0000   10.1947    1.0000  3.8536       5.1700 	1
1.0000   10.4694    1.3670   -1.0000        1 -3
'Wf'         'fcc'   12.      74           183.85
5.6190   7.5294    1.0000   13.3905    1.0000  4.0285      8.3300	0.9
1.0000   11.6876    1.1184   -2.7000        1 -3
'Taf'        'fcc'   12.      73           180.948
5.8625   6.3501    1.0000   12.0143    1.0000  4.1919      7.8290	1.15
1.0000   12.0438    1.2550   -1.5000        1 -3
'Mox'        'bcc'    8.      42           95.94
5.8625   7.03      3.0000    5.0000    7.0000  3.15        6.81		0.46
1.0000    0.5000    3.1000   -7.5000        1  10
'Mon'        'bcc'    8.      42           95.94
5.8625   7.03      1.0000    1.0000    1.0000  3.15        6.81		0.46
1.0000    0.5000    3.1000   -7.5000        1  0
'Mof'        'fcc'   12.      42           95.94
5.8625   8.0214    1.0000   15.7758    1.0000  4.0166      6.53		0.85
1.0000   13.4091    0.6629   -2.9000        1 -3
'Nbf'        'fcc'   12.      41           92.906
4.7566   6.1835    1.0000    7.7767    1.0000  4.1892       7.25	1.1
1.0000    8.7215    3.6964   -1.0000        1 -3
'Lif'        'fcc'   12.      3            6.939
2.8997   3.2832    1.0000    6.4935    1.0000  4.3996      1.645	1.06 
1.0000    3.1844    3.3061   -0.2000        1 -3
'Naf'        'fcc'   12.      11           22.9898
3.5913   3.9787    1.0000    6.5860    1.0000  5.4098      1.125	1.06
1.0000    7.0099    3.7137   -0.2000        1 -3
'Kf'         'fcc'   12.      19           39.102
3.8710   4.3328    1.0000    7.4971    1.0000  6.7420      0.935	1.06
1.0000    9.6246    2.6205   -0.2000        1 -3
'Sn5'       'dia'   4.      50           118.
5.09        5.00   16.0    04.0          5.0  6.483   3.14     1.00
1.0         2.00            5.756        -0.30         1.      0
'Sn'        'dia'   4.      50           118.
5.09        5.42    8.0     5.0          6.0  6.483   3.14     1.12
1.0         3.0             5.707        +0.30         1.      0
'Cu1'        'fcc'   12.     29           63.54
5.11        3.634   2.20    6            2.20  3.62    3.54    1.07
1.0         4.91            2.49         2.95          1.70    0
'Cu'        'fcc'   12.     29           63.54
5.10570729  3.634   2.20    6            2.20  3.62    3.54    1.07
1.0         3.13803254      2.49438711   2.95269237    1.      0
'Ag'        'fcc'   12.     47           107.870
5.89222008  4.456   2.20    6            2.20  4.08    2.85    1.06
1.0         5.54097609      2.45015783   1.28843988    1.      0
'Au'        'fcc'   12.     79           196.967
6.34090112  5.449   2.20    6            2.20  4.07    3.93    1.04
1.0         1.58956328      1.50776392   2.60609758    1.      0
'Ni'        'fcc'   12.     28           58.71
4.99        2.45    1.50    6            1.50  3.52    4.45    1.10
1.0         3.57            1.60         3.70           1.0    0
'Nix'        'fcc'   12.     28           58.71
4.99        2.45    1.50    6            1.50  4.64    4.45    1.10
1.0         3.57            1.60         3.70           1.0    0
'Ni'        'fcc'   12.     28           58.71
4.99        2.64    1.50    4.50         1.50  3.52    4.45    1.10
1.0         1.692           4.987        3.683          1.0    1 
'Ni'        'fcc'   12.     28           58.71
4.99        3.25    0.80    4            1.50  3.52    4.45    1.07
1.0         -4.052          13.14        3.786		1.0    1
'Pd'        'fcc'   12.     46           106.4
6.43230473  4.975   2.20    6            2.20  3.89    3.91    1.01
1.0         2.33573516      1.38343023   4.47989049    1.      0
'Pt1'        'fcc'   12.     78           195.09
6.44221724  4.673   2.20    6            2.20  3.92    5.77    1.04
1.0         4.70            -1.3759593   3.29322278    0.5     0
'Pt'        'fcc'   12.     78           195.09
6.44221724  4.673   2.20    6            2.20  3.92    5.77    1.04
1.0         2.73335406      -1.3759593   3.29322278    1.      0
'Al'        'fcc'   12.     13           26.9815
4.61        2.21    2.20    6.0          2.20  4.05    3.58    1.07
1.0         -1.78           -2.21        8.01          0.6     0
'Aln'        'fcc'   12.     13           26.9815
4.61        2.21    2.20    6.0          2.20  4.05    3.58    1.07
1.0         -1.78           -2.21        8.01          0.27     0
'Al'        'fcc'   12.     13           26.9815
4.69        1.56    4.00    5.5          0.60  4.05    3.36    1.09
1.0         -0.251          -3.450       8.298         0.6     1
'Al'        'fcc'   12.     13           26.9815
4.69	    1.58    1.00    6.0          0.60  4.05    3.36    1.09
1.0         -0.808          -2.614       8.298         0.6     1
'Pb'        'fcc'   12.     82           207.19
6.0564428   5.306   2.20    6            2.20  4.95    2.04    1.01
1.0         2.74022352      3.06323991   1.2           1.      0
'Rh'        'fcc'   12.     45           102.905
6.0045385   1.131   1.00    2            1.00  3.8     5.75    1.05
1.0         2.9900          4.60231784   4.8           1.      0
'Ir'        'fcc'   12.     77           192.2
6.52315787  1.13    1.00    2            1.00  3.84    6.93    1.05
1.0         1.50000         8.09942666   4.8           1.      0
'Ir1'       'fcc'   12.     77           192.2
6.52315787  1.13    1.00    2            1.00  3.84    6.93    1.05
1.0         4.38000         8.09942666   4.8           1.      0
'Ca'         'fcc'  12.      20           40.078
4.72        2.95    1.00    6.0          1.00  5.54    1.91    1.05
1.0        10.0             5.067        +2.0          0.4     0
'Li'        'bcc'   8.      3            6.939
2.97244804  1.425   1.00    1.00169907   1.00  3.509   1.65    0.87
1.0         0.26395017      0.44431129   -0.2          1.      0 
'Na'        'bcc'   8.      11           22.9898
3.64280541  2.313   1.00    1.00173951   1.00  4.291   1.13    0.9
1.0         3.55398839      0.68807569   -0.2          1.      0
'K'         'bcc'   8.      19           39.102
3.90128376  2.687   1.00    1.00186667   1.00  5.344   0.94    0.92
1.0         5.09756981      0.69413264   -0.2          1.      0
'V'         'bcc'   8.      23           50.942
4.83265262  4.113   1.00    1.00095022   1.00  3.04    5.3     1
1.0         4.20161301      4.09946561   -1            1.      0
'Nb'        'bcc'   8.      41           92.906
4.79306197  4.374   1.00    1.00101441   1.00  3.301   7.47    1
1.0         3.75762849      3.82514598   -1            1.      0
'Ta1'        'bcc'   8.      73           180.948
4.89528669  3.709   1.00    1.00099783   1.00  3.303   8.09    0.99
1.0        10.              3.35255804   -2.9          0.9     0
'Ta'        'bcc'   8.      73           180.948
4.89528669  3.709   1.00    1.00099783   1.00  3.303   8.09    0.99
1.0         6.08617812      3.35255804   -2.9          1.1     0
'Cr1'        'bcc'   8.      24           51.996
5.12169218  3.224   1.00    1.00048646   1.00  2.885   4.1     0.94
1.0          2.             12.2600006   -1.9          1.      0
'Cr'        'bcc'   8.      24           51.996
5.12169218  3.224   1.00    1.00048646   1.00  2.885   4.1     0.94
1.0         -0.207535       12.2600006   -1.9          1.      0
'Mo'        'bcc'   8.      42           95.94
5.84872871  4.481   1.00    1.00065204   1.00  3.15    6.81    0.99
1.0         3.47727181      9.48582009   -2.9          1.      0
'WL'        'bcc'    8.      74           183.85
5.6831   6.54       1.0       1.0         1.0  3.1639       8.66        0.40
1.0000   -0.6    0.3      -8.7        1  -3
'W'         'bcc'   8.      74           183.85
5.62777409  3.978   1.00    1.00065894   1.00  3.165   8.66    0.98
1.0         3.16353338      8.24586928   -2.7          1.      0
'Fe'        'bcc'   8.      26           55.847
5.07292627  2.935   1.00    1.00080073   1.00  2.866   4.29    0.89
1.0         7.5             4.12042448   -1.5          1.      3
'Fe'        'bcc'   8.      26           55.847
5.07292627  2.935   1.00    1.00080073   1.00  2.866   4.29    0.89
1.0         7.5             4.12042448   -1.5          1.      0
'Fe1'        'bcc'   8.      26           55.847
5.07292627  2.935   1.00    1.00080073   1.00  2.866   4.29    0.89
1.0         6.6             4.12042448   -1.5          1.      0
'Sit'        'dia'   4.      14           28.086
4.87        4.4     5.5     5.5          5.5   5.431   4.63    1.
1.0         2.05            4.47         -0.00         1.000    0
'Six'        'dia'   4.      14           28.086
4.87        4.4     5.5     5.5          5.5   5.431   4.63    1.
1.0         2.05            4.47         -1.80         1.000    0
'Siz'        'dia'   4.      14           28.086
4.87        4.4     5.5     5.5          5.5   5.431   4.63    1.
1.0         3.13            4.47         -1.80         1.600    0
'Sis'        'dia'   4.      14           28.086
4.87        4.4     5.5     5.5          5.5   5.431   4.63    1.
1.0         3.13            4.47         -1.80         2.05    0
'Si'        'dia'   4.      14           28.086
4.87        4.8     4.8     4.8          4.8   5.431   4.63    1.
1.0         3.30            5.105        -0.80         1.      1
'C'         'dia'   4.      6            12.0111
4.38        4.10    4.200   5.00         3.00  3.567   7.37    1.000
1.0         5.0             9.34         -1.00         2.25    1
'C'         'dia'   4.      6            12.0111
4.38        5.20    3.87    4.00         4.50  3.567   7.37    1.278
1.0         15.             2.09         -6.00         2.5     1
'C'         'dia'   4.      6            12.0111
4.38        4.50    4.00    3.50         4.80  3.567   7.37    1.00
1.0         10.5            1.54         -8.75         3.2     1 
'C'         'dia'   4.      6            12.0111
4.38        3.30    2.80    1.50         3.20  3.567   7.37    1.00 
1.0         10.3            1.54         -8.80         2.5     1 
'C'         'dia'   4.      6            12.0111
4.38        4.60    3.45    4.00         4.20  3.567   7.37    1.061
1.0         15.0            1.74         -8.00         2.5     1
'C'         'dia'   4.      6            12.0111
4.38        4.50    4.00    3.50         4.80  3.567   7.37    1.00
1.0         10.5            1.54         -8.75         3.2     1
'Hx'        'dim'   1.      1            1.0079
2.96        2.96    3.0     3.0          9.0   0.74    2.235   2.50
1.0         +0.20           -0.10        -0.0         006.5    0
'Hx'        'dim'   1.      1            1.0079
2.96        2.96    3.0     3.0          3.0   0.74    2.235   2.50
1.0         +0.20           -0.10        -0.0         003.5    0
'H'        'dim'   1.      1            1.0079
2.96        2.96    3.0     3.0          3.0   0.74    2.235   2.50
1.0         +0.20           -0.10        -0.0         000.5    0
'Hz'        'dim'   1.      1            1.0079
2.96        2.96    3.0     3.0          3.0   0.74    2.235   2.50
1.0         +0.20           -0.10        -0.0          16.0    0
'Oz'         'dim'   1.      1            15.9994
6.49        6.49    6.5     6.5          6.5   1.21    2.558   1.50
1.0         0.09            0.10         -0.0          06.5    0
'ND'         'dim'    1.      7            14.0067
5.96        4.45    2.0     2.00         2.0   1.1     4.88   1.86
1.0       -0.00032         -0.0040      +00.001          08.00   0
'NA'         'fcc'   12.      7            14.0067
7.58        5.65    2.0     6.00         2.0   3.056   1.50   1.30
1.0       +17.00           -0.0000     -12.0          00.23   0
'N'         'dim'   1.      7            14.0067
5.96        4.00    4.0     4.0          4.0   1.10    4.880   1.50
1.0         0.05            0.00         -0.0          04.77   0
'O'         'dim'   1.      1            15.9994
6.49        6.49    6.5     6.5          6.5   1.21    2.558   1.50
1.0         0.09            0.10         -0.0          01.6    0
'He'         'fcc'   12.      2            4.0000
8.35        6.06    6.06    6.06         6.06  4.10    0.032   1.00
1.0         0.00            0.00         -0.0          00.45    0
'Mo2'        'bcc'   8.      42           95.94
5.84872871  4.481   4.00    1.00         1.00  3.15    6.81    0.99
1.0         +1.0            9.486        +08.0         2.30    0
'Si1'        'dia'   4.      14           28.086
4.87        4.4     5.5     5.5          5.5   5.431   4.63    1.
1.0         3.13            4.47         +2.80         2.05    0
'Au2'        'fcc'   12.     79           196.967 
6.34        5.45    1.2     6.0          1.2   4.07  3.93    1.04 
1.0         2.59            -1.0         4.51          0.87    0
'Si2'        'dia'   4.      14           28.086  
4.87        4.4     5.5     5.5          5.5   5.431  4.63    1.
1.0         2.05            4.47         -1.80         2.05    3
'Au3'        'fcc'   12.     79           196.967 
6.34        5.45    1.2     6.0          1.2   4.072935  3.93    1.04 
1.0         2.59            -1.0         4.51          0.87    0
'Si3'        'dia'   4.      14           28.086  
4.87        4.4     5.5     5.5          5.5   5.4271  4.63    1.
1.0         2.05            4.47         -1.80         2.05    3
