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The Cambridge Energy Landscape Database
https://www-wales.ch.cam.ac.uk/~wales/CCD/TIP4P-water.html17 Apr 2020: 17. -723.80775 kJ/mol. 18. -773.23187 kJ/mol. 19. -821.03692 kJ/mol. 20. -872.98875 kJ/mol. ... 21. -916.70743 kJ/mol. Low-lying minima for TIP4P water. 20. corresponding to different morphologies:All structures have been viewed and animated with1. -
https://www-wales.ch.cam.ac.uk/examples/OPTIM/VASP/vasprun.xml
https://www-wales.ch.cam.ac.uk/examples/OPTIM/VASP/vasprun.xml29 Jan 2020: 12500635 -0.37444092 -0.37499788 -0.12501791 1 65 68 66 71 38 23 7 16 8 6 26 2 10 18 20 4 3 11 51 36 43 35 69 -
https://www-wales.ch.cam.ac.uk/examples/OPTIM/VASP/single-ended/vaspru…
https://www-wales.ch.cam.ac.uk/examples/OPTIM/VASP/single-ended/vasprun.xml29 Jan 2020: 12555765 -0.37452829 -0.37184044 -0.12365416 1 68 71 66 65 6 8 23 38 7 16 43 3 4 11 18 2 20 26 10 36 35 51 73
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