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Tabular Data - 181.4 KB - 10 Variables, 2329 Observations - UNF:6:K/h59kKzqYQ2r7M1CN6Auw==
The free energies and the final thermodynamic database (properties) for hcp Hf using the PBE functional: G, H, S, C_p, C_V, V^eq, \alpha, B_T, B_S.
Tabular Data - 75.2 KB - 10 Variables, 971 Observations - UNF:6:M2O/opbkPnxxXARIubH7TA==
The free energies and the final thermodynamic database (properties) for bcc Ti using the PBE functional: G, H, S, C_p, C_V, V^eq, \alpha, B_T, B_S.
Tabular Data - 117.5 KB - 10 Variables, 1529 Observations - UNF:6:n3gVUw9rgVxb5WbEzcMBxA==
The free energies and the final thermodynamic database (properties) for hcp Ti using the PBE functional: G, H, S, C_p, C_V, V^eq, \alpha, B_T, B_S.
Tabular Data - 118.4 KB - 10 Variables, 1519 Observations - UNF:6:PIudJPuvl5obJmas+t0oLw==
The free energies and the final thermodynamic database (properties) for bcc Zr using the PBE functional: G, H, S, C_p, C_V, V^eq, \alpha, B_T, B_S.
Tabular Data - 115.6 KB - 10 Variables, 1521 Observations - UNF:6:1pAqokWi2SaJ7ErSrFdYpQ==
The free energies and the final thermodynamic database (properties) for hcp Zr using the PBE functional: G, H, S, C_p, C_V, V^eq, \alpha, B_T, B_S.
Gzip Archive - 225.0 MB - MD5: 00007b9b22c4e5209ce39bbfb3e1c54e
The training sets (VASP files), the low moment-tensor-potentials (MTPs) and high-MTPs, and the effective quasiharmonic (QH) potentials for bcc Ti using the PBE functional.
Gzip Archive - 183.7 MB - MD5: b629e7f39299f1c474bd505aa4d66613
The training sets (VASP files), the low moment-tensor-potentials (MTPs) and high-MTPs, and the effective quasiharmonic (QH) potentials for hcp Ti using the PBE functional.
Gzip Archive - 214.5 MB - MD5: 35c94c1f0ebcf510ec3fb71ad4757c35
The training sets (VASP files), the low moment-tensor-potentials (MTPs) and high-MTPs, and the effective quasiharmonic (QH) potentials for bcc Zr using the PBE functional.
Gzip Archive - 195.7 MB - MD5: f81fc865a1417ef50d91854a35131bb8
The training sets (VASP files), the low moment-tensor-potentials (MTPs) and high-MTPs, and the effective quasiharmonic (QH) potentials for hcp Zr using the PBE functional.
MATLAB Data - 2.7 MB - MD5: cc7b406541bae1a2ef9792094e4ffe9e
Information on basin boundaries, along with their respective IDs and other pertinent attributes, is provided.
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