https://github.com/sbillinge/ncomm-goldnp-2016
Tip revision: e9f356055eb3568c2ec9994d6905dfd730c32bec authored by Pavol Juhas on 29 June 2016, 16:10:35 UTC
Describe the xyz files in README.
Describe the xyz files in README.
Tip revision: e9f3560
Au144_MD6341surface6.xyz
204
Au 0.0 0.0 -4.2675
Au 0.0 0.0 -1.4225
Au 0.0 0.0 1.4225
Au 0.0 0.0 4.2675
Au 2.46384227377 0.0 -5.69
Au 0.761369134053 2.34325324959 -5.69
Au -1.99329027094 1.44821015249 -5.69
Au -1.99329027094 -1.44821015249 -5.69
Au 0.761369134053 -2.34325324959 -5.69
Au 2.46384227377 0.0 -2.845
Au 0.761369134053 2.34325324959 -2.845
Au -1.99329027094 1.44821015249 -2.845
Au -1.99329027094 -1.44821015249 -2.845
Au 0.761369134053 -2.34325324959 -2.845
Au 2.46384227377 0.0 0.0
Au 0.761369134053 2.34325324959 0.0
Au -1.99329027094 1.44821015249 0.0
Au -1.99329027094 -1.44821015249 0.0
Au 0.761369134053 -2.34325324959 0.0
Au 2.46384227377 0.0 2.845
Au 0.761369134053 2.34325324959 2.845
Au -1.99329027094 1.44821015249 2.845
Au -1.99329027094 -1.44821015249 2.845
Au 0.761369134053 -2.34325324959 2.845
Au 2.46384227377 0.0 5.69
Au 0.761369134053 2.34325324959 5.69
Au -1.99329027094 1.44821015249 5.69
Au -1.99329027094 -1.44821015249 5.69
Au 0.761369134053 -2.34325324959 5.69
Au 4.92768454753 0.0 -4.2675
Au 3.22521140782 2.34325324959 -4.2675
Au 1.52273826811 4.68650649918 -4.2675
Au -1.23192113688 3.79146340208 -4.2675
Au -3.98658054187 2.89642030499 -4.2675
Au -3.98658054187 6.31716901012e-16 -4.2675
Au -3.98658054187 -2.89642030499 -4.2675
Au -1.23192113688 -3.79146340208 -4.2675
Au 1.52273826811 -4.68650649918 -4.2675
Au 3.22521140782 -2.34325324959 -4.2675
Au 4.92768454753 0.0 -1.4225
Au 3.22521140782 2.34325324959 -1.4225
Au 1.52273826811 4.68650649918 -1.4225
Au -1.23192113688 3.79146340208 -1.4225
Au -3.98658054187 2.89642030499 -1.4225
Au -3.98658054187 6.31716901012e-16 -1.4225
Au -3.98658054187 -2.89642030499 -1.4225
Au -1.23192113688 -3.79146340208 -1.4225
Au 1.52273826811 -4.68650649918 -1.4225
Au 3.22521140782 -2.34325324959 -1.4225
Au 4.92768454753 0.0 1.4225
Au 3.22521140782 2.34325324959 1.4225
Au 1.52273826811 4.68650649918 1.4225
Au -1.23192113688 3.79146340208 1.4225
Au -3.98658054187 2.89642030499 1.4225
Au -3.98658054187 6.31716901012e-16 1.4225
Au -3.98658054187 -2.89642030499 1.4225
Au -1.23192113688 -3.79146340208 1.4225
Au 1.52273826811 -4.68650649918 1.4225
Au 3.22521140782 -2.34325324959 1.4225
Au 4.92768454753 0.0 4.2675
Au 3.22521140782 2.34325324959 4.2675
Au 1.52273826811 4.68650649918 4.2675
Au -1.23192113688 3.79146340208 4.2675
Au -3.98658054187 2.89642030499 4.2675
Au -3.98658054187 6.31716901012e-16 4.2675
Au -3.98658054187 -2.89642030499 4.2675
Au -1.23192113688 -3.79146340208 4.2675
Au 1.52273826811 -4.68650649918 4.2675
Au 3.22521140782 -2.34325324959 4.2675
Au 7.3915268213 0.0 -2.845
Au 5.68905368159 2.34325324959 -2.845
Au 3.98658054187 4.68650649918 -2.845
Au 2.28410740216 7.02975974877 -2.845
Au -0.47055200283 6.13471665167 -2.845
Au -3.22521140782 5.23967355458 -2.845
Au -5.97987081281 4.34463045748 -2.845
Au -5.97987081281 1.44821015249 -2.845
Au -5.97987081281 -1.44821015249 -2.845
Au -5.97987081281 -4.34463045748 -2.845
Au -3.22521140782 -5.23967355458 -2.845
Au -0.47055200283 -6.13471665167 -2.845
Au 2.28410740216 -7.02975974877 -2.845
Au 3.98658054187 -4.68650649918 -2.845
Au 5.68905368159 -2.34325324959 -2.845
Au 7.3915268213 0.0 0.0
Au 5.68905368159 2.34325324959 0.0
Au 3.98658054187 4.68650649918 0.0
Au 2.28410740216 7.02975974877 0.0
Au -0.47055200283 6.13471665167 0.0
Au -3.22521140782 5.23967355458 0.0
Au -5.97987081281 4.34463045748 0.0
Au -5.97987081281 1.44821015249 0.0
Au -5.97987081281 -1.44821015249 0.0
Au -5.97987081281 -4.34463045748 0.0
Au -3.22521140782 -5.23967355458 0.0
Au -0.47055200283 -6.13471665167 0.0
Au 2.28410740216 -7.02975974877 0.0
Au 3.98658054187 -4.68650649918 0.0
Au 5.68905368159 -2.34325324959 0.0
Au 7.3915268213 0.0 2.845
Au 5.68905368159 2.34325324959 2.845
Au 3.98658054187 4.68650649918 2.845
Au 2.28410740216 7.02975974877 2.845
Au -0.47055200283 6.13471665167 2.845
Au -3.22521140782 5.23967355458 2.845
Au -5.97987081281 4.34463045748 2.845
Au -5.97987081281 1.44821015249 2.845
Au -5.97987081281 -1.44821015249 2.845
Au -5.97987081281 -4.34463045748 2.845
Au -3.22521140782 -5.23967355458 2.845
Au -0.47055200283 -6.13471665167 2.845
Au 2.28410740216 -7.02975974877 2.845
Au 3.98658054187 -4.68650649918 2.845
Au 5.68905368159 -2.34325324959 2.845
Au -5.2672 -1.4482 -6.062
S -7.0715 -0.73071 -4.7744
S -3.4629 -2.1657 -7.3496
Au -3.005 4.5619 -6.062
S -2.8802 6.4996 -4.7744
S -3.1298 2.6242 -7.3496
Au 3.41 4.2676 -6.062
S 5.2915 4.7477 -4.7744
S 1.5286 3.7876 -7.3496
Au 5.1125 -1.9244 -6.062
S 6.1505 -3.5654 -4.7744
S 4.0745 -0.28336 -7.3496
Au -0.25033 -5.4569 -6.062
S -1.4903 -6.9512 -4.7744
S 0.98961 -3.9627 -7.3496
Au -0.25033 5.4569 6.062
S -1.4903 6.9512 4.7744
S 0.98961 3.9627 7.3496
Au -5.2672 1.4482 6.062
S -7.0715 0.73071 4.7744
S -3.4629 2.1657 7.3496
Au -3.005 -4.5619 6.062
S -2.8802 -6.4996 4.7744
S -3.1298 -2.6242 7.3496
Au 3.41 -4.2676 6.062
S 5.2915 -4.7477 4.7744
S 1.5286 -3.7876 7.3496
Au 5.1125 1.9244 6.062
S 6.1505 3.5654 4.7744
S 4.0745 0.28336 7.3496
Au -6.2639 2.1723 -5.3508
S -6.665 4.5076 -5.0645
S -5.8627 -0.16295 -5.637
Au 0.13036 6.6286 -5.3508
S 2.2274 7.7317 -5.0645
S -1.9667 5.5254 -5.637
Au 6.3444 1.9244 -5.3508
S 8.0416 0.27088 -5.0645
S 4.6473 3.5779 -5.637
Au 3.7907 -5.4392 -5.3508
S 2.7426 -7.5643 -5.0645
S 4.8388 -3.3142 -5.637
Au -4.0016 -5.286 -5.3508
S -6.3466 -4.9459 -5.0645
S -1.6567 -5.6261 -5.637
Au -4.0016 5.286 5.3508
S -6.3466 4.9459 5.0645
S -1.6567 5.6261 5.637
Au -6.2639 -2.1723 5.3508
S -6.665 -4.5076 5.0645
S -5.8627 0.16295 5.637
Au 0.13036 -6.6286 5.3508
S 2.2274 -7.7317 5.0645
S -1.9667 -5.5254 5.637
Au 6.3444 -1.9244 5.3508
S 8.0416 -0.27088 5.0645
S 4.6473 -3.5779 5.637
Au 3.7907 5.4392 5.3508
S 2.7426 7.5643 5.0645
S 4.8388 3.3142 5.637
Au -8.2834 0 1.4225
S -8.2834 1.5189 -0.33984
S -8.2834 -1.5189 3.1848
Au -8.2834 0 -1.4225
S -8.2834 1.5189 -3.1848
S -8.2834 -1.5189 0.33984
Au -2.5597 -7.878 -1.4225
S -4.0042 -7.4087 -3.1848
S -1.1152 -8.3474 0.33984
Au -2.5597 -7.878 1.4225
S -4.0042 -7.4087 -0.33984
S -1.1152 -8.3474 3.1848
Au 6.7014 -4.8689 -1.4225
S 5.8087 -6.0977 -3.1848
S 7.5942 -3.6401 0.33984
Au 6.7014 -4.8689 1.4225
S 5.8087 -6.0977 -0.33984
S 7.5942 -3.6401 3.1848
Au 6.7014 4.8689 -1.4225
S 7.5942 3.6401 -3.1848
S 5.8087 6.0977 0.33984
Au 6.7014 4.8689 1.4225
S 7.5942 3.6401 -0.33984
S 5.8087 6.0977 3.1848
Au -2.5597 7.878 -1.4225
S -1.1152 8.3474 -3.1848
S -4.0042 7.4087 0.33984
Au -2.5597 7.878 1.4225
S -1.1152 8.3474 -0.33984
S -4.0042 7.4087 3.1848
