adf:cu111ofqetutorial
103 Cu 1.90968922 7.48835763 -6.22216219 Cu 0.63336148 9.69902212 -6.22216219 Cu 5.73867244 0.85636415 -6.22216219 Cu 4.46234470 3.06702864 -6.22216219 Cu 5.73867244 5.27769313 0.03054123 Cu 4.46234470 7.48835763 0.03054123 Cu 3.18601696 9.69902212 0.03054123 Cu 8.29132792 0.85636415 0.03054123 Cu 7.01500018 3.06702864 0.03054123 Cu 8.29132792 5.27769313 0.03054123 Cu 7.01500018 7.48835763 0.03054123 Cu 5.73867244 9.69902212 0.03054123 Cu 10.84398340 0.85636415 0.03054123 Cu 9.56765566 3.06702864 0.03054123 Cu -1.91929400 5.27769313 0.03054123 Cu -3.19562174 7.48835763 0.03054123 Cu -4.47194948 9.69902212 0.03054123 Cu 0.63336148 0.85636415 0.03054123 Cu -0.64296626 3.06702864 0.03054123 Cu 0.63336148 5.27769313 0.03054123 Cu -0.64296626 7.48835763 0.03054123 Cu -1.91929400 9.69902212 0.03054123 Cu 3.18601696 0.85636415 0.03054123 Cu 1.90968922 3.06702864 0.03054123 Cu 3.18601696 5.27769313 0.03054123 Cu 1.90968922 7.48835763 0.03054123 Cu 0.63336148 9.69902212 0.03054123 Cu 5.73867244 0.85636415 0.03054123 Cu 4.46234470 3.06702864 0.03054123 Cu 5.73867244 6.75146946 -2.05369325 Cu 4.46234470 8.96213396 -2.05369325 Cu 9.56765566 0.11947598 -2.05369325 Cu 8.29132792 2.33014048 -2.05369325 Cu 7.01500018 4.54080497 -2.05369325 Cu 8.29132792 6.75146946 -2.05369325 Cu 7.01500018 8.96213396 -2.05369325 Cu 12.12031114 0.11947598 -2.05369325 Cu 10.84398340 2.33014048 -2.05369325 Cu 9.56765566 4.54080497 -2.05369325 Cu -1.91929400 6.75146946 -2.05369325 Cu -3.19562174 8.96213396 -2.05369325 Cu 1.90968922 0.11947598 -2.05369325 Cu 0.63336148 2.33014048 -2.05369325 Cu -0.64296626 4.54080497 -2.05369325 Cu 0.63336148 6.75146946 -2.05369325 Cu -0.64296626 8.96213396 -2.05369325 Cu 4.46234470 0.11947598 -2.05369325 Cu 3.18601696 2.33014048 -2.05369325 Cu 1.90968922 4.54080497 -2.05369325 Cu 3.18601696 6.75146946 -2.05369325 Cu 1.90968922 8.96213396 -2.05369325 Cu 7.01500018 0.11947598 -2.05369325 Cu 5.73867244 2.33014048 -2.05369325 Cu 4.46234470 4.54080497 -2.05369325 Cu 7.01500018 6.01458130 -4.13792772 Cu 5.73867244 8.22524579 -4.13792772 Cu 4.46234470 10.43591028 -4.13792772 Cu 9.56765566 1.59325231 -4.13792772 Cu 8.29132792 3.80391681 -4.13792772 Cu -3.19562174 6.01458130 -4.13792772 Cu -4.47194948 8.22524579 -4.13792772 Cu -5.74827722 10.43591028 -4.13792772 Cu -0.64296626 1.59325231 -4.13792772 Cu -1.91929400 3.80391681 -4.13792772 Cu -0.64296626 6.01458130 -4.13792772 Cu -1.91929400 8.22524579 -4.13792772 Cu -3.19562174 10.43591028 -4.13792772 Cu 1.90968922 1.59325231 -4.13792772 Cu 0.63336148 3.80391681 -4.13792772 Cu 1.90968922 6.01458130 -4.13792772 Cu 0.63336148 8.22524579 -4.13792772 Cu -0.64296626 10.43591028 -4.13792772 Cu 4.46234470 1.59325231 -4.13792772 Cu 3.18601696 3.80391681 -4.13792772 Cu 4.46234470 6.01458130 -4.13792772 Cu 3.18601696 8.22524579 -4.13792772 Cu 1.90968922 10.43591028 -4.13792772 Cu 7.01500018 1.59325231 -4.13792772 Cu 5.73867244 3.80391681 -4.13792772 Cu 5.73867244 5.27769313 -6.22216219 Cu 4.46234470 7.48835763 -6.22216219 Cu 3.18601696 9.69902212 -6.22216219 Cu 8.29132792 0.85636415 -6.22216219 Cu 7.01500018 3.06702864 -6.22216219 Cu 8.29132792 5.27769313 -6.22216219 Cu 7.01500018 7.48835763 -6.22216219 Cu 5.73867244 9.69902212 -6.22216219 Cu 10.84398340 0.85636415 -6.22216219 Cu 9.56765566 3.06702864 -6.22216219 Cu -1.91929400 5.27769313 -6.22216219 Cu -3.19562174 7.48835763 -6.22216219 Cu -4.47194948 9.69902212 -6.22216219 Cu 0.63336148 0.85636415 -6.22216219 Cu -0.64296626 3.06702864 -6.22216219 Cu 0.63336148 5.27769313 -6.22216219 Cu -0.64296626 7.48835763 -6.22216219 Cu -1.91929400 9.69902212 -6.22216219 Cu 3.18601696 0.85636415 -6.22216219 Cu 1.90968922 3.06702864 -6.22216219 Cu 3.18601696 5.27769313 -6.22216219 O 4.98229593 4.31910091 5.06906402 H 5.27693539 5.09333384 5.55419385 H 4.62226651 3.67472503 5.68287062 VEC1 12.76327740 0.00000000 0.00000000 VEC2 -6.38163870 11.05332246 0.00000000
adf/cu111ofqetutorial.txt · 最后更改: 2024/02/08 17:28 由 liu.jun