| Title
A single sentence description.
|
ASE cohesive energy test example |
|---|---|
| Description | |
| Species
The supported atomic species.
| Ar |
| Disclaimer
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
|
Tutorial test using the Atomic Simulation Environment which calculates the cohesive energy |
| Contributor |
Matt Bierbaum |
| Maintainer |
Matt Bierbaum |
| Published on KIM | 2014 |
| How to Cite | Click here to download this citation in BibTeX format. |
| Funding | Not available |
| Short KIM ID
The unique KIM identifier code.
| TE_102111117114_001 |
| Extended KIM ID
The long form of the KIM ID including a human readable prefix (100 characters max), two underscores, and the Short KIM ID. Extended KIM IDs can only contain alpha-numeric characters (letters and digits) and underscores and must begin with a letter.
| ASECohesiveEnergyFromQueryExample_fcc_Ar__TE_102111117114_001 |
| Citable Link | https://openkim.org/cite/TE_102111117114_001 |
| KIM Item Type | Test |
| Properties
Properties as defined in kimspec.edn.
| |
| KIM API Version | 1.6 |
| Programming Language(s)
The programming languages used in the code and the percentage of the code written in each one.
| 100.00% Python |
| Previous Version | ASECohesiveEnergyFromQueryExample_fcc_Ar__TE_102111117114_000 |
| Model | Error Categories | Link to Error page |
|---|---|---|
| LennardJones612_UniversalShifted__MO_959249795837_002 | other | view |
| Model | Error Categories | Link to Error page |
|---|---|---|
| Pair_LJ_Smooth_Bernardes_Ar__MO_764178710049_000 | other | view |
| Model | Error Categories | Link to Error page |
|---|---|---|
| Pair_Lennard_Jones_Shifted_Bernardes_HighCutoff_Ar__MO_242741380554_002 | other | view |
| Pair_Lennard_Jones_Shifted_Bernardes_LowCutoff_Ar__MO_720819638419_002 | other | view |
| Pair_Lennard_Jones_Shifted_Bernardes_MedCutoff_Ar__MO_126566794224_002 | other | view |
| Model | Error Categories | Link to Error page |
|---|---|---|
| Pair_Lennard_Jones_Truncated_Nguyen_Ar__MO_398194508715_000 | other | view |
| Model | Error Categories | Link to Error page |
|---|---|---|
| Pair_Morse_Shifted_Jelinek_Ar__MO_831902330215_001 | other | view |
| Model | Error Categories | Link to Error page |
|---|---|---|
| Pair_Morse_Sigmoid_Jelinek_Ar__MO_071460865933_000 | other | view |
| Model | Error Categories | Link to Error page |
|---|---|---|
| Pair_Morse_Smoothed90_Jelinek_Ar__MO_908645784389_000 | other | view |
| ASECohesiveEnergyFromQueryExample_fcc_Ar__TE_102111117114_001.txz | Tar+XZ | Linux and OS X archive |
| ASECohesiveEnergyFromQueryExample_fcc_Ar__TE_102111117114_001.zip | Zip | Windows archive |