LAMMPS Buckingham potential for CaO–Al2O3–SiO2 systems developed by Freitas et al. (2015) v000

Adilson A. Freitas; R. L. Santos; R. Colaço; J. N. Canongia Lopes

doi:10.25950/de76655f

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Sim_LAMMPS_Buckingham_FreitasSantosColaco_2015_SiCaOAl__SM_154093256665_000

Interatomic potential for Aluminum (Al), Calcium (Ca), Oxygen (O), Silicon (Si).
Use this Potential

Title A single sentence description.	LAMMPS Buckingham potential for CaO–Al2O3–SiO2 systems developed by Freitas et al. (2015) v000
Description	A rigid-ion pair potential developed for CaO–Al2O3–SiO2 mixtures most commonly found in cement-clinker phases. The energy between two ions is partitioned into a long-range Coulombic interaction and a short-range one that describes Pauli repulsions and van der Waal’s attractions. The short-range term is modelled by the Buckingham potential.
Species The supported atomic species.	Al, Ca, O, Si
Disclaimer A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.	None
Content Origin	The model parameters have been extracted from Table 1 of the reference with DOI: 10.1039/C5CP02823J

Contributor	Evangelos Voyiatzis
Maintainer	Evangelos Voyiatzis
Developer	Adilson A. Freitas R. L. Santos R. Colaço J. N. Canongia Lopes
Published on KIM	2023
How to Cite	This Simulator Model originally published in [1] is archived in OpenKIM [2-4]. [1] Freitas AA, Santos RL, Cola\co R, Horta RB, Lopes JNC. From lime to silica and alumina: systematic modeling of cement clinkers using a general force-field. Physical Chemistry Chemical Physics. 2015Jun;17:18477–94. doi:10.1039/C5CP02823J — (Primary Source) A primary source is a reference directly related to the item documenting its development, as opposed to other sources that are provided as background information. [2] Freitas AA, Santos RL, Colaço R, Lopes JNC. LAMMPS Buckingham potential for CaO–Al2O3–SiO2 systems developed by Freitas et al. (2015) v000. OpenKIM; 2023. doi:10.25950/de76655f [3] Tadmor EB, Elliott RS, Sethna JP, Miller RE, Becker CA. The potential of atomistic simulations and the Knowledgebase of Interatomic Models. JOM. 2011;63(7):17. doi:10.1007/s11837-011-0102-6 [4] Elliott RS, Tadmor EB. Knowledgebase of Interatomic Models (KIM) Application Programming Interface (API). OpenKIM; 2011. doi:10.25950/ff8f563a Click here to download the above citation in BibTeX format.
Citations This panel presents information regarding the papers that have cited the interatomic potential (IP) whose page you are on. The OpenKIM machine learning based Deep Citation framework is used to determine whether the citing article actually used the IP in computations (denoted by "USED") or only provides it as a background citation (denoted by "NOT USED"). For more details on Deep Citation and how to work with this panel, click the documentation link at the top of the panel. The word cloud to the right is generated from the abstracts of IP principle source(s) (given below in "How to Cite") and the citing articles that were determined to have used the IP in order to provide users with a quick sense of the types of physical phenomena to which this IP is applied. The bar chart shows the number of articles that cited the IP per year. Each bar is divided into green (articles that USED the IP) and blue (articles that did NOT USE the IP). Users are encouraged to correct Deep Citation errors in determination by clicking the speech icon next to a citing article and providing updated information. This will be integrated into the next Deep Citation learning cycle, which occurs on a regular basis. OpenKIM acknowledges the support of the Allen Institute for AI through the Semantic Scholar project for providing citation information and full text of articles when available, which are used to train the Deep Citation ML algorithm.	This panel provides information on past usage of this interatomic potential (IP) powered by the OpenKIM Deep Citation framework. The word cloud indicates typical applications of the potential. The bar chart shows citations per year of this IP (bars are divided into articles that used the IP (green) and those that did not (blue)). The complete list of articles that cited this IP is provided below along with the Deep Citation determination on usage. See the Deep Citation documentation for more information. 12 Citations (8 used) Show Model Used Show All Help us to determine which of the papers that cite this potential actually used it to perform calculations. If you know, click the . F. Vuković et al., “Atomistic simulations of calcium aluminosilicate interfaced with liquid water.,” The Journal of chemical physics. 2023. link Times cited: 1 Abstract: The dissolution behavior of calcium aluminosilicate based gl… read more Abstract: The dissolution behavior of calcium aluminosilicate based glass fibers, such as stone wool fibers, is an important consideration in mineral wool applications for both the longevity of the mineral wool products in humid environments and limiting the health impacts of released and inhaled fibers from the mineral wool product. Balancing these factors requires a molecular-level understanding of calcium aluminosilicate glass dissolution mechanisms, details that are challenging to resolve with experiment alone. Molecular dynamics simulations are a powerful tool capable of providing complementary atomistic insights regarding dissolution; however, they require force fields capable of describing not-only the calcium aluminosilicate surface structure but also the interactions relevant to dissolution phenomena. Here, a new force field capable of describing amorphous calcium aluminosilicate surfaces interfaced with liquid water is developed by fitting parameters to experimental and first principles simulation data of the relevant oxide-water interfaces, including ab initio molecular dynamics simulations performed for this work for the wüstite and periclase interfaces. Simulations of a calcium aluminosilicate surface interfaced with liquid water were used to test this new force field, suggesting moderate ingress of water into the porous glass interface. This design of the force field opens a new avenue for the further study of calcium and network-modifier dissolution phenomena in calcium aluminosilicate glasses and stone wool fibers at liquid water interfaces. read less R. Šiaučiūnas, E. Prichockienė, and Z. Valančius, “The Influence of Mg-Impurities in Raw Materials on the Synthesis of Rankinite Clinker and the Strength of Mortar Hardening in CO2 Environment,” Materials. 2023. link Times cited: 1 Abstract: The idea of this work is to reduce the negative effect of or… read more Abstract: The idea of this work is to reduce the negative effect of ordinary Portland cement (OPC) manufacture on the environment by decreasing clinker production temperature and developing an alternative rankinite binder that hardens in the CO2 atmosphere. The common OPC raw materials, limestone and mica clay, if they contain a higher MgO content, have been found to be unsuitable for the synthesis of CO2-curing low-lime binders. X-ray diffraction analysis (ex-situ and in-situ in the temperature range of 25–1150 °C) showed that akermanite Ca2Mg(Si2O7) begins to form at a temperature of 900 °C. According to Rietveld refinement, the interlayer distances of the resulting curve are more accurately described by the compound, which contains intercalated Fe2+ and Al3+ ions and has the chemical formula Ca2(MgO0.495·FeO0.202·AlO0.303)·(FeO0.248·AlO·Si1.536·O7). Stoichiometric calculations showed that FeO and Al2O3 have replaced about half of the MgO content in the akermanite structure. All this means that only ~4 wt% MgO content in the raw materials determines that ~60 wt% calcium magnesium silicates are formed in the synthesis product. Moreover, it was found that the formed akermanite practically does not react with CO2. Within 24 h of interaction with 99.9 wt% of CO2 gas (15 bar), the intensity of the akermanite peaks does not practically change at 25 °C; no changes are observed at 45 °C, either, which means that the chemical reaction does not take place. As a result, the compressive strength of the samples compressed from the synthesized product and CEN Standard sand EN 196-1 (1:3), and hardened at 15 bar CO2, 45 °C for 24 h, was only 14.45 MPa, while the analogous samples made from OPC clinker obtained from the same raw materials yielded 67.5 MPa. read less K. Gong and E. Olivetti, “Data‐driven prediction of room temperature density for multicomponent silicate‐based glasses,” Journal of the American Ceramic Society. 2022. link Times cited: 2 Abstract: Density is one of the most commonly measured or estimated ma… read more Abstract: Density is one of the most commonly measured or estimated materials properties, especially for glasses and melts that are of significant interest to many fields, including metallurgy, geology, materials science and sustainable cements. Here, two types of machine learning (ML) models (i.e., random forest (RF) and artificial neural network (ANN)) have been developed to predict the room-temperature density of glasses in the compositional space of CaO-MgO-Al2O3-SiO2-TiO2-FeO-Fe2O3-Na2O-K2O-MnO (CMASTFNKM), based on ~2100 data points mined from ~140 literature studies. The results show that the RF and ANN models give accurate predictions of glass density with R2 values, RMSE, and MAPE of ~0.96-0.98, ~0.02-0.03 g/cm3 and ~0.59-0.79%, respectively, for the 15% testing set, which are more accurate compared with empirical density models based on ionic packing ratio (with R2 values, RMSE, and MAPE of ~0.28-0.91, ~0.05-0.15 g/cm3, and ~1.40-4.61%, respectively). Furthermore, glass density is shown to be a reliable reactivity indicator for a range of CaO-Al2O3-SiO2 (CAS) and volcanic glasses due to its strong correlation (R2 values above ~0.90) with the average metal-oxygen dissociation energy (a structural descriptor) of these glasses. Analysis of the predicted density-composition relationships from these models (for selected compositional subspaces) suggests that the ANN model exhibits a certain level of transferability (i.e., ability to extrapolate to compositional space not (or less) covered in the database) and captures known features including the mixed alkaline earth effects for (CaO-MgO)0.5-(Al2O3-SiO2)0.5 glasses. read less J. P. Gallo-Molina, A. A. de Freitas, J. C. C. Lopes, I. Nopens, and K. Lesage, “Molecular dynamics simulations of effective interactions among clinker minerals in aqueous solution and the structure and dynamics of the interstitial water,” Materials and Structures. 2021. link Times cited: 1 S.-qiang Song et al., “Leaching kinetics of Cr(VI) phases in the matrices of calcium aluminate cement-bonded refractory castables: Role of micro-silica,” Journal of The European Ceramic Society. 2020. link Times cited: 7 M. Nath, S.-qiang Song, T. Xu, Y. Wu, and Y. Li, “Effective inhibition of Cr(VI) in the Al2O3-CaO-Cr2O3 refractory castables system through silica gel assisted in-situ secondary phase tuning,” Journal of Cleaner Production. 2019. link Times cited: 20 P. Paradiso, R. Santos, R. B. Horta, J. N. C. Lopes, P. J. Ferreira, and R. Colaço, “Formation of nanocrystalline tobermorite in calcium silicate binders with low C/S ratio,” Acta Materialia. 2018. link Times cited: 38 D. Belmonte, G. Ottonello, and M. V. Zuccolini, “Ab initio-assisted assessment of the CaO-SiO2 system under pressure,” Calphad-computer Coupling of Phase Diagrams and Thermochemistry. 2017. link Times cited: 24 M. Antunes, R. Santos, R. B. Horta, and R. Colaço, “Novel Amorphous-Wollastonitic Low-Calcium Hydraulic Binders: A State-of-the-Art Review,” Materials. 2023. link Times cited: 0 Abstract: Because of the severe environmental impact of the CO2 emissi… read more Abstract: Because of the severe environmental impact of the CO2 emissions associated with the production of ordinary Portland cement (OPC) and the increasing demand for this commodity material, the development of alternative products has become a global concern. One alternative to OPC, or alitic-based clinkers, are amorphous-wollastonitic low-calcium hydraulic binders (AWLCs). This new class of hydraulic binders, described in the literature for the first time in 2015, may significantly reduce the CO2 emissions associated with its production, resulting from its lower calcium content, but also from the fact that its production technology can be fully electrified. In this paper, a state-of-the-art review is presented, providing a comprehensive description of the latest research, summarizing both the physicochemical and mechanical characteristics of this type of hydraulic binder, as well as possible routes for its production at an industrial scale. read less M. Antunes, R. Santos, J. Pereira, P. Rocha, R. B. Horta, and R. Colaço, “Alternative Clinker Technologies for Reducing Carbon Emissions in Cement Industry: A Critical Review,” Materials. 2021. link Times cited: 26 Abstract: Currently, the production of one ton of ordinary Portland ce… read more Abstract: Currently, the production of one ton of ordinary Portland cement (OPC) releases considerable amounts of CO2 into the atmosphere. As the need and demand for this material grows exponentially, it has become a challenge to increase its production at a time when climate-related problems represent a major global concern. The two main CO2 contributors in this process are fossil fuel combustion to heat the rotary kiln and the chemical reaction associated with the calcination process, in the production of the clinker, the main component of OPC. The current paper presents a critical review of the existent alternative clinker technologies (ACTs) that are under an investigation trial phase or under restricted use for niche applications and that lead to reduced emissions of CO2. Also, the possibility of transition of clinker production from traditional rotary kilns based on fuel combustion processes to electrification is discussed, since this may lead to the partial or even complete elimination of the CO2 combustion-related emissions, arising from the heating of the clinker kiln. read less R. Santos et al., “Novel high-resistance clinkers with 1.10 < CaO/SiO2 < 1.25: production route and preliminary hydration characterization,” Cement and Concrete Research. 2016. link Times cited: 8 J. P. Gallo-Molina, K. Lesage, and I. Nopens, “TOWARDS A MULTISCALE RHEOLOGICAL MODEL OF FRESH CEMENT PASTES: A POPULATION BALANCE APPROACH,” Chemical Engineering Research and Design. 2023. link Times cited: 0
Funding	Not available

Short KIM ID The unique KIM identifier code.	SM_154093256665_000
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.	Sim_LAMMPS_Buckingham_FreitasSantosColaco_2015_SiCaOAl__SM_154093256665_000
DOI	10.25950/de76655f https://doi.org/10.25950/de76655f https://commons.datacite.org/doi.org/10.25950/de76655f
KIM Item Type	Simulator Model
KIM API Version	2.2
Simulator Name The name of the simulator as defined in kimspec.edn.	LAMMPS
Potential Type	buckingham
Simulator Potential	buck/coul/long
Run Compatibility	portable-models

Verification Check Dashboard

(Click here to learn more about Verification Checks)

Grade	Name	Category	Brief Description	Full Results	Aux File(s)
P All elements claimed by model are supported in at least one of the tested configurations.	vc-species-supported-as-stated	mandatory	The model supports all species it claims to support; see full description.	Results	Files
N/A Unable to perform verification check due to an error.	vc-periodicity-support	mandatory	Periodic boundary conditions are handled correctly; see full description.	Results	Files
P Model energy has permutation symmetry for all configurations the model was able to compute.	vc-permutation-symmetry	mandatory	Total energy and forces are unchanged when swapping atoms of the same species; see full description.	Results	Files
A The letter grade A was assigned because the normalized error in the computation was 1.97702e-09 compared with a machine precision of 2.22045e-16. The letter grade was based on 'score=log10(error/eps)', with ranges A=[0, 7.5], B=(7.5, 10.0], C=(10.0, 12.5], D=(12.5, 15.0), F>15.0. 'A' is the best grade, and 'F' indicates failure.	vc-forces-numerical-derivative	consistency	Forces computed by the model agree with numerical derivatives of the energy; see full description.	Results	Files
N/A Unable to perform verification check due to an error.	vc-dimer-continuity-c1	informational	The energy versus separation relation of a pair of atoms is C1 continuous (i.e. the function and its first derivative are continuous); see full description.	Results	Files
P Model energy and forces are invariant with respect to rigid-body motion (translation and rotation) for all configurations the model was able to compute.	vc-objectivity	informational	Total energy is unchanged and forces transform correctly under rigid-body translation and rotation; see full description.	Results	Files
P Model energy has inversion symmetry for all configurations the model was able to compute.	vc-inversion-symmetry	informational	Total energy is unchanged and forces change sign when inverting a configuration through the origin; see full description.	Results	Files
F Memory leak detected.	vc-memory-leak	informational	The model code does not have memory leaks (i.e. it releases all allocated memory at the end); see full description.	Results	Files
N/A Thread safety can only be checked for KIM Models.	vc-thread-safe	mandatory	The model returns the same energy and forces when computed in serial and when using parallel threads for a set of configurations. Note that this is not a guarantee of thread safety; see full description.	Results	Files

This bar chart plot shows the mono-atomic body-centered cubic (bcc) lattice constant predicted by the current model (shown in the unique color) compared with the predictions for all other models in the OpenKIM Repository that support the species. The vertical bars show the average and standard deviation (one sigma) bounds for all model predictions. Graphs are generated for each species supported by the model.

(No matching species)

Cohesive Energy Graph

This graph shows the cohesive energy versus volume-per-atom for the current mode for four mono-atomic cubic phases (body-centered cubic (bcc), face-centered cubic (fcc), simple cubic (sc), and diamond). The curve with the lowest minimum is the ground state of the crystal if stable. (The crystal structure is enforced in these calculations, so the phase may not be stable.) Graphs are generated for each species supported by the model.

(No matching species)

Diamond Lattice Constant

This bar chart plot shows the mono-atomic face-centered diamond lattice constant predicted by the current model (shown in the unique color) compared with the predictions for all other models in the OpenKIM Repository that support the species. The vertical bars show the average and standard deviation (one sigma) bounds for all model predictions. Graphs are generated for each species supported by the model.

(No matching species)

Dislocation Core Energies

This graph shows the dislocation core energy of a cubic crystal at zero temperature and pressure for a specific set of dislocation core cutoff radii. After obtaining the total energy of the system from conjugate gradient minimizations, non-singular, isotropic and anisotropic elasticity are applied to obtain the dislocation core energy for each of these supercells with different dipole distances. Graphs are generated for each species supported by the model.

(No matching species)

FCC Elastic Constants

This bar chart plot shows the mono-atomic face-centered cubic (fcc) elastic constants predicted by the current model (shown in blue) compared with the predictions for all other models in the OpenKIM Repository that support the species. The vertical bars show the average and standard deviation (one sigma) bounds for all model predictions. Graphs are generated for each species supported by the model.

(No matching species)

FCC Lattice Constant

This bar chart plot shows the mono-atomic face-centered cubic (fcc) lattice constant predicted by the current model (shown in red) compared with the predictions for all other models in the OpenKIM Repository that support the species. The vertical bars show the average and standard deviation (one sigma) bounds for all model predictions. Graphs are generated for each species supported by the model.

(No matching species)

FCC Stacking Fault Energies

This bar chart plot shows the intrinsic and extrinsic stacking fault energies as well as the unstable stacking and unstable twinning energies for face-centered cubic (fcc) predicted by the current model (shown in blue) compared with the predictions for all other models in the OpenKIM Repository that support the species. The vertical bars show the average and standard deviation (one sigma) bounds for all model predictions. Graphs are generated for each species supported by the model.

(No matching species)

FCC Surface Energies

This bar chart plot shows the mono-atomic face-centered cubic (fcc) relaxed surface energies predicted by the current model (shown in blue) compared with the predictions for all other models in the OpenKIM Repository that support the species. The vertical bars show the average and standard deviation (one sigma) bounds for all model predictions. Graphs are generated for each species supported by the model.

(No matching species)

SC Lattice Constant

This bar chart plot shows the mono-atomic simple cubic (sc) lattice constant predicted by the current model (shown in the unique color) compared with the predictions for all other models in the OpenKIM Repository that support the species. The vertical bars show the average and standard deviation (one sigma) bounds for all model predictions. Graphs are generated for each species supported by the model.

(No matching species)

Cubic Crystal Basic Properties Table

Species: Al

Species: Ca

Species: O

Species: Si

Tests

CrystalStructureAndEnergyVsPressure__TD_685283176869_000

Crystal structure and binding potential versus applied hydrostatic pressure v000

Creators:
Contributor: ilia
Publication Year: 2025
DOI: https://doi.org/10.25950/687267bf

This Test Driver computes the crystal structure and binding potential versus applied hydrostatic pressure for an arbitrary crystal. The crystal structure is specified using the AFLOW prototype designation. A scan over negative and positive hydrostatic pressures is performed, with a symmetry-constrained minimization of the cell and internal degrees of freedom at each step. Binding potential energy, volume, mass density, and the cell and internal crystal structure parameters are reported at each pressure step.

Test	Test Results	Link to Test Results page	Benchmark time Usertime multiplied by the Whetstone Benchmark. This number can be used (approximately) to compare the performance of different models independently of the architecture on which the test was run. Measured in Millions of Whetstone Instructions (MWI)
Crystal structure and binding potential versus applied hydrostatic pressure for OSi in AFLOW crystal prototype A2B_oC24_20_abc_c v000		view	64450866

ElasticConstantsCrystal__TD_034002468289_000

Elastic constants for arbitrary crystals at zero temperature and pressure v000

Creators:
Contributor: ilia
Publication Year: 2024
DOI: https://doi.org/10.25950/888f9943

Computes the elastic constants for an arbitrary crystal. A robust computational protocol is used, attempting multiple methods and step sizes to achieve an acceptably low error in numerical differentiation and deviation from material symmetry. The crystal structure is specified using the AFLOW prototype designation as part of the Crystal Genome testing framework. In addition, the distance from the obtained elasticity tensor to the nearest isotropic tensor is computed.

Test	Link to Test Results page	Benchmark time Usertime multiplied by the Whetstone Benchmark. This number can be used (approximately) to compare the performance of different models independently of the architecture on which the test was run. Measured in Millions of Whetstone Instructions (MWI)
Elastic constants for AlO in AFLOW crystal prototype A2B_cF12_225_c_a at zero temperature and pressure v000	view	10578677
Elastic constants for CaSi in AFLOW crystal prototype A2B_cF12_225_c_a at zero temperature and pressure v000	view	256777714
Elastic constants for OSi in AFLOW crystal prototype A2B_cF12_225_c_a at zero temperature and pressure v000	view	140865023
Elastic constants for OSi in AFLOW crystal prototype A2B_cF144_210_fg_g at zero temperature and pressure v000	view	423669707
Elastic constants for OSi in AFLOW crystal prototype A2B_cF408_227_efgh_aeg at zero temperature and pressure v000	view	872098062
Elastic constants for OSi in AFLOW crystal prototype A2B_cI144_206_2de_e at zero temperature and pressure v000	view	281441171
Elastic constants for OSi in AFLOW crystal prototype A2B_cI48_206_ad_c at zero temperature and pressure v000	view	745192843
Elastic constants for OSi in AFLOW crystal prototype A2B_cI72_230_g_d at zero temperature and pressure v000	view	225913397
Elastic constants for OSi in AFLOW crystal prototype A2B_cP12_205_c_a at zero temperature and pressure v000	view	133904589
Elastic constants for OSi in AFLOW crystal prototype A2B_cP144_224_ij2k_l at zero temperature and pressure v000	view	456531318
Elastic constants for OSi in AFLOW crystal prototype A2B_cP24_198_ab_2a at zero temperature and pressure v000	view	544721613
Elastic constants for OSi in AFLOW crystal prototype A2B_cP36_195_fgj_j at zero temperature and pressure v000	view	418341532
Elastic constants for OSi in AFLOW crystal prototype A2B_cP72_205_2d_d at zero temperature and pressure v000	view	261466381
Elastic constants for OSi in AFLOW crystal prototype A2B_cP72_223_jk_j at zero temperature and pressure v000	view	324602948
Elastic constants for OSi in AFLOW crystal prototype A2B_hP12_194_cg_f at zero temperature and pressure v000	view	194851062
Elastic constants for OSi in AFLOW crystal prototype A2B_hP18_162_fgi_k at zero temperature and pressure v000	view	195601570
Elastic constants for OSi in AFLOW crystal prototype A2B_hP18_179_ab_b at zero temperature and pressure v000	view	168854167
Elastic constants for OSi in AFLOW crystal prototype A2B_hP18_194_gh_h at zero temperature and pressure v000	view	266000596
Elastic constants for OSi in AFLOW crystal prototype A2B_hP36_162_2ijk_l at zero temperature and pressure v000	view	363325843
Elastic constants for OSi in AFLOW crystal prototype A2B_hP36_163_ghi_i at zero temperature and pressure v000	view	461228917
Elastic constants for OSi in AFLOW crystal prototype A2B_hP36_177_jk2l_n at zero temperature and pressure v000	view	313901168
Elastic constants for OSi in AFLOW crystal prototype A2B_hP36_194_ghk_k at zero temperature and pressure v000	view	311668481
Elastic constants for AlCaOSi in AFLOW crystal prototype A2BC8D2_aP104_2_8i_4i_32i_8i at zero temperature and pressure v000	view	288103383

ElasticConstantsCrystal__TD_034002468289_001

Elastic constants for arbitrary crystals at zero temperature and pressure v001

Creators:
Contributor: ilia
Publication Year: 2025
DOI: https://doi.org/10.25950/922d328f

Computes the elastic constants for an arbitrary crystal. A robust computational protocol is used, attempting multiple methods and step sizes to achieve an acceptably low error in numerical differentiation and deviation from material symmetry. The crystal structure is specified using the AFLOW prototype designation as part of the Crystal Genome testing framework. In addition, the distance from the obtained elasticity tensor to the nearest isotropic tensor is computed.

Test	Link to Test Results page	Benchmark time Usertime multiplied by the Whetstone Benchmark. This number can be used (approximately) to compare the performance of different models independently of the architecture on which the test was run. Measured in Millions of Whetstone Instructions (MWI)
Elastic constants for OSi in AFLOW crystal prototype A2B_oC24_20_abc_c at zero temperature and pressure v001	view	183034882
Elastic constants for Si in AFLOW crystal prototype A_cF136_227_aeg at zero temperature and pressure v001	view	50724180
Elastic constants for Si in AFLOW crystal prototype A_cF4_225_a at zero temperature and pressure v001	view	1834889
Elastic constants for Si in AFLOW crystal prototype A_cF8_227_a at zero temperature and pressure v001	view	3088552
Elastic constants for Si in AFLOW crystal prototype A_cI12_229_d at zero temperature and pressure v001	view	44956142
Elastic constants for Si in AFLOW crystal prototype A_cI16_206_c at zero temperature and pressure v001	view	13394623
Elastic constants for Si in AFLOW crystal prototype A_cI82_217_acgh at zero temperature and pressure v001	view	69637560
Elastic constants for Si in AFLOW crystal prototype A_cP46_223_cik at zero temperature and pressure v001	view	32798370
Elastic constants for Si in AFLOW crystal prototype A_hP1_191_a at zero temperature and pressure v001	view	1906200
Elastic constants for Si in AFLOW crystal prototype A_hP2_194_c at zero temperature and pressure v001	view	3093656
Elastic constants for Si in AFLOW crystal prototype A_hP40_191_hjmno at zero temperature and pressure v001	view	172388220
Elastic constants for Si in AFLOW crystal prototype A_hP4_194_f at zero temperature and pressure v001	view	10467017
Elastic constants for Si in AFLOW crystal prototype A_hP58_164_2d3i3j at zero temperature and pressure v001	view	149812740
Elastic constants for Si in AFLOW crystal prototype A_hP68_194_ef2h2kl at zero temperature and pressure v001	view	53524699
Elastic constants for Si in AFLOW crystal prototype A_mC164_15_e20f at zero temperature and pressure v001	view	297622620
Elastic constants for Si in AFLOW crystal prototype A_mC16_12_4i at zero temperature and pressure v001	view	29442109
Elastic constants for Si in AFLOW crystal prototype A_oC92_63_ce2f2g3h at zero temperature and pressure v001	view	51598182
Elastic constants for Si in AFLOW crystal prototype A_oF16_69_gh at zero temperature and pressure v001	view	13215587
Elastic constants for Si in AFLOW crystal prototype A_tI4_141_a at zero temperature and pressure v001	view	6569880
Elastic constants for Si in AFLOW crystal prototype A_tI8_139_h at zero temperature and pressure v001	view	8905860
Elastic constants for Si in AFLOW crystal prototype A_tP106_137_a5g4h at zero temperature and pressure v001	view	132113580

EquilibriumCrystalStructure__TD_457028483760_001

Equilibrium structure and energy for a crystal structure at zero temperature and pressure v001

Creators:
Contributor: ilia
Publication Year: 2023
DOI: https://doi.org/10.25950/e8a7ed84

Computes the equilibrium crystal structure and energy for an arbitrary crystal at zero temperature and applied stress by performing symmetry-constrained relaxation. The crystal structure is specified using the AFLOW prototype designation. Multiple sets of free parameters corresponding to the crystal prototype may be specified as initial guesses for structure optimization. No guarantee is made regarding the stability of computed equilibria, nor that any are the ground state.

Test	Link to Test Results page	Benchmark time Usertime multiplied by the Whetstone Benchmark. This number can be used (approximately) to compare the performance of different models independently of the architecture on which the test was run. Measured in Millions of Whetstone Instructions (MWI)
Equilibrium crystal structure and energy for CaOSi in AFLOW crystal prototype A2B4C_oP84_33_6a_12a_3a v000	view	16194228
Equilibrium crystal structure and energy for AlOSi in AFLOW crystal prototype A2B5C_oP32_58_eg_3gh_g v000	view	17469040
Equilibrium crystal structure and energy for O in AFLOW crystal prototype A_mC16_12_2ij v001	view	3379475
Equilibrium crystal structure and energy for O in AFLOW crystal prototype A_mC4_12_i v001	view	154161
Equilibrium crystal structure and energy for O in AFLOW crystal prototype A_oC12_63_cg v001	view	1511944

EquilibriumCrystalStructure__TD_457028483760_002

Equilibrium structure and energy for a crystal structure at zero temperature and pressure v002

Creators:
Contributor: ilia
Publication Year: 2024
DOI: https://doi.org/10.25950/2f2c4ad3

Computes the equilibrium crystal structure and energy for an arbitrary crystal at zero temperature and applied stress by performing symmetry-constrained relaxation. The crystal structure is specified using the AFLOW prototype designation. Multiple sets of free parameters corresponding to the crystal prototype may be specified as initial guesses for structure optimization. No guarantee is made regarding the stability of computed equilibria, nor that any are the ground state.

Test	Link to Test Results page	Benchmark time Usertime multiplied by the Whetstone Benchmark. This number can be used (approximately) to compare the performance of different models independently of the architecture on which the test was run. Measured in Millions of Whetstone Instructions (MWI)
Equilibrium crystal structure and energy for CaSi in AFLOW crystal prototype A14B19_hR66_167_b2cef_2ce2f v002	view	106072343
Equilibrium crystal structure and energy for AlO in AFLOW crystal prototype A2B3_hR10_167_c_e v002	view	8618899
Equilibrium crystal structure and energy for AlO in AFLOW crystal prototype A2B3_mC10_12_i_ai v002	view	1080454
Equilibrium crystal structure and energy for AlO in AFLOW crystal prototype A2B3_mC20_12_2i_3i v002	view	1388244
Equilibrium crystal structure and energy for AlO in AFLOW crystal prototype A2B3_oC20_63_ac_cf v002	view	2256984
Equilibrium crystal structure and energy for AlO in AFLOW crystal prototype A2B3_oP20_60_d_cd v002	view	2534238
Equilibrium crystal structure and energy for AlCaOSi in AFLOW crystal prototype A2B3C12D3_cI160_230_a_c_h_d v001	view	576369
Equilibrium crystal structure and energy for CaOSi in AFLOW crystal prototype A2B4C_hP14_164_abd_di_d v001	view	1718155
Equilibrium crystal structure and energy for CaOSi in AFLOW crystal prototype A2B4C_hP14_186_ab_bc_b v001	view	2048196
Equilibrium crystal structure and energy for CaOSi in AFLOW crystal prototype A2B4C_mP28_14_2e_4e_e v001	view	2859244
Equilibrium crystal structure and energy for CaOSi in AFLOW crystal prototype A2B4C_mP56_14_4e_8e_2e v001	view	4740617
Equilibrium crystal structure and energy for CaOSi in AFLOW crystal prototype A2B4C_tI14_139_e_ce_a v001	view	77670
Equilibrium crystal structure and energy for AlOSi in AFLOW crystal prototype A2B5C_aP32_2_4i_10i_2i v001	view	17149159
Equilibrium crystal structure and energy for AlOSi in AFLOW crystal prototype A2B5C_oC32_63_f_c2f_c v001	view	4054454
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_aP12_1_8a_4a v002	view	3802604
Equilibrium crystal structure and energy for AlO in AFLOW crystal prototype A2B_cF12_225_c_a v002	view	1503445
Equilibrium crystal structure and energy for CaSi in AFLOW crystal prototype A2B_cF12_225_c_a v002	view	3184614
Equilibrium crystal structure and energy for AlCa in AFLOW crystal prototype A2B_cF24_227_c_b v001	view	1609712
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_hR18_148_2f_f v002	view	3423522
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_hR18_148_def_f v002	view	3030830
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_hR18_166_def_h v002	view	3787718
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_hR18_167_de_e v002	view	16227578
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_hR36_166_2fgh_i v002	view	52004638
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_hR36_166_fg2h_i v002	view	6991957
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_hR36_167_d3e_f v002	view	39549448
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_hR36_167_def_f v002	view	46226312
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_hR72_148_8f_4f v002	view	31703535
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_mP48_14_8e_4e v002	view	7804379
Equilibrium crystal structure and energy for CaSi in AFLOW crystal prototype A2B_oP12_62_2c_c v002	view	599823
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_oP48_55_gh3i_2i v002	view	2314652
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tP3_123_h_a v002	view	478910
Equilibrium crystal structure and energy for AlCaSi in AFLOW crystal prototype A2BC2_hP5_164_d_a_d v001	view	778979
Equilibrium crystal structure and energy for AlCaO in AFLOW crystal prototype A2BC4_hP42_173_2c_a2b_4c v001	view	15979477
Equilibrium crystal structure and energy for AlCaO in AFLOW crystal prototype A2BC4_mP14_11_2e_e_4e v001	view	1000170
Equilibrium crystal structure and energy for AlCaO in AFLOW crystal prototype A2BC4_mP56_14_4e_2e_8e v001	view	20201171
Equilibrium crystal structure and energy for AlCaOSi in AFLOW crystal prototype A2BC8D2_aP104_2_8i_4i_32i_8i v001	view	40382538
Equilibrium crystal structure and energy for CaOSi in AFLOW crystal prototype A3B5C_hR27_160_3b_6a3b_3a v001	view	35634457
Equilibrium crystal structure and energy for CaOSi in AFLOW crystal prototype A3B5C_mC54_8_3a3b_9a3b_3a v001	view	3583260
Equilibrium crystal structure and energy for CaOSi in AFLOW crystal prototype A3B7C2_oI96_46_ab2c_2b6c_abc v001	view	26763040
Equilibrium crystal structure and energy for AlSi in AFLOW crystal prototype A4B19_aP46_1_8a_38a v002	view	14364464
Equilibrium crystal structure and energy for AlCa in AFLOW crystal prototype A4B_tI10_139_de_a v001	view	1212466
Equilibrium crystal structure and energy for AlCaO in AFLOW crystal prototype A4BC7_mC48_15_2f_e_e3f v001	view	2714878
Equilibrium crystal structure and energy for CaSi in AFLOW crystal prototype A5B3_tI32_140_cl_ah v002	view	2226611
Equilibrium crystal structure and energy for AlCaO in AFLOW crystal prototype A6B4C13_cI46_217_d_c_ag v001	view	23770587
Equilibrium crystal structure and energy for AlCaO in AFLOW crystal prototype A6B5C14_oC100_36_2a2b_a2b_4a5b v001	view	6758456
Equilibrium crystal structure and energy for AlCaO in AFLOW crystal prototype A7B6C16_cI116_220_ac_d_ce v001	view	9181201
Equilibrium crystal structure and energy for O in AFLOW crystal prototype A_hP4_194_f v002	view	605656
Equilibrium crystal structure and energy for O in AFLOW crystal prototype A_hR2_166_c v002	view	2179314
Equilibrium crystal structure and energy for CaSi in AFLOW crystal prototype AB2_hP3_164_a_d v002	view	622903
Equilibrium crystal structure and energy for CaSi in AFLOW crystal prototype AB2_hP3_191_a_d v002	view	769923
Equilibrium crystal structure and energy for CaSi in AFLOW crystal prototype AB2_hR3_166_a_c v002	view	658942
Equilibrium crystal structure and energy for CaSi in AFLOW crystal prototype AB2_hR6_166_c_2c v002	view	3292530
Equilibrium crystal structure and energy for CaSi in AFLOW crystal prototype AB2_tI12_141_a_e v002	view	1875482
Equilibrium crystal structure and energy for CaSi in AFLOW crystal prototype AB2_tI24_141_c_h v002	view	2112443
Equilibrium crystal structure and energy for CaO in AFLOW crystal prototype AB2_tI6_139_a_e v002	view	578496
Equilibrium crystal structure and energy for CaSi in AFLOW crystal prototype AB3_tI32_139_de_im v002	view	13392526
Equilibrium crystal structure and energy for CaOSi in AFLOW crystal prototype AB3C_aP30_2_3i_9i_3i v001	view	20641937
Equilibrium crystal structure and energy for CaOSi in AFLOW crystal prototype AB3C_cP5_221_a_c_b v001	view	88050
Equilibrium crystal structure and energy for AlO in AFLOW crystal prototype AB_cF8_225_a_b v002	view	79656
Equilibrium crystal structure and energy for CaO in AFLOW crystal prototype AB_cF8_225_a_b v002	view	69813
Equilibrium crystal structure and energy for CaO in AFLOW crystal prototype AB_hP4_194_c_d v002	view	66111
Equilibrium crystal structure and energy for CaSi in AFLOW crystal prototype AB_oC8_63_c_c v002	view	951177
Equilibrium crystal structure and energy for CaSi in AFLOW crystal prototype AB_oP4_47_i_i v002	view	12706677
Equilibrium crystal structure and energy for AlCaSi in AFLOW crystal prototype ABC_hP15_187_agh_f2i_cgh v001	view	2287831
Equilibrium crystal structure and energy for AlCaSi in AFLOW crystal prototype ABC_hP18_186_3b_3a_3b v001	view	2545134
Equilibrium crystal structure and energy for AlCaSi in AFLOW crystal prototype ABC_hP3_187_a_d_e v001	view	418819

EquilibriumCrystalStructure__TD_457028483760_003

Equilibrium structure and energy for a crystal structure at zero temperature and pressure v003

Creators:
Contributor: ilia
Publication Year: 2025
DOI: https://doi.org/10.25950/866c7cfa

Computes the equilibrium crystal structure and energy for an arbitrary crystal at zero temperature and applied stress by performing symmetry-constrained relaxation. The crystal structure is specified using the AFLOW prototype designation. Multiple sets of free parameters corresponding to the crystal prototype may be specified as initial guesses for structure optimization. No guarantee is made regarding the stability of computed equilibria, nor that any are the ground state.

Test	Link to Test Results page	Benchmark time Usertime multiplied by the Whetstone Benchmark. This number can be used (approximately) to compare the performance of different models independently of the architecture on which the test was run. Measured in Millions of Whetstone Instructions (MWI)
Equilibrium crystal structure and energy for AlCaO in AFLOW crystal prototype A12BC19_hP64_194_ab2fk_c_efh2k v002	view	2104605
Equilibrium crystal structure and energy for AlCaOSi in AFLOW crystal prototype A12BC27D4_hP44_147_2g_a_bd4g_2d v002	view	1382340
Equilibrium crystal structure and energy for AlCa in AFLOW crystal prototype A14B13_mC54_12_gh3ij_a2i2j v002	view	5392968
Equilibrium crystal structure and energy for AlCaOSi in AFLOW crystal prototype A2B2C7D_tP24_113_e_e_cef_a v002	view	490800
Equilibrium crystal structure and energy for AlCaSi in AFLOW crystal prototype A2B3C2_oI14_71_e_af_f v002	view	300960
Equilibrium crystal structure and energy for AlCaO in AFLOW crystal prototype A2B3C6_cP33_221_cd_ag_fh v002	view	347700
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_aP18_1_12a_6a v003	view	3770506
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_aP48_2_16i_8i v003	view	8378866
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_cF12_225_c_a v003	view	160163
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_cF144_210_fg_g v003	view	3447102
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_cF24_227_c_a v003	view	535029
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_cF408_227_efgh_aeg v003	view	10653112
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_cF96_227_cf_e v003	view	5655919
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_cI144_206_2de_e v003	view	6747398
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_cI48_206_ad_c v003	view	353137
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_cI72_199_2bc_c v003	view	1478959
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_cI72_211_hi_i v003	view	3360787
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_cI72_230_g_d v003	view	3950103
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_cP12_205_c_a v003	view	278564
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_cP144_224_ij2k_l v003	view	10315468
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_cP24_198_ab_2a v003	view	2217072
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_cP36_195_fgj_j v003	view	929142
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_cP72_205_2d_d v003	view	5539975
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_cP72_223_jk_j v003	view	6846402
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_hP12_182_cg_f v003	view	565493
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_hP12_194_cg_f v003	view	256407
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_hP18_162_fgi_k v003	view	574824
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_hP18_179_ab_b v003	view	623266
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_hP18_194_gh_h v003	view	460682
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_hP36_162_2ijk_l v003	view	2933371
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_hP36_163_g3h_i v003	view	775560
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_hP36_163_ghi_i v003	view	1797896
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_hP36_177_j2lm_n v003	view	1927611
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_hP36_177_jk2l_n v003	view	2551677
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_hP36_181_fhij_k v003	view	507832
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_hP36_194_ghk_k v003	view	1747612
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_hP72_180_4k_gik v003	view	1574838
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_hP9_154_c_a v003	view	1225715
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_hP9_180_i_d v003	view	298757
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_mC168_12_e7i10j_7j v003	view	7691784
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_mC24_15_aef_f v003	view	1100181
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_mC24_15_cef_f v003	view	783247
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_mC24_5_4c_2c v003	view	1592356
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_mC24_5_ab3c_2c v003	view	3735221
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_mC24_9_4a_2a v003	view	1762162
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_mC48_15_ae3f_2f v003	view	8511542
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_mC72_12_2ghi4j_3j v003	view	1691883
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_mC72_12_eg2i4j_3j v003	view	4575291
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_mC72_12_gh2i4j_3j v003	view	3618933
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_mC72_8_4a10b_6b v003	view	3597235
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_mC96_12_g3i6j_4j v003	view	7061631
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_mP12_13_abce_g v003	view	3163469
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_mP12_3_ab3e_2e v003	view	3373037
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_mP12_4_4a_2a v003	view	1335010
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_mP12_6_2a2b2c_2a2b v003	view	1458665
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_mP24_14_4e_2e v003	view	2429490
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_mP54_13_ae8g_f4g v003	view	2905786
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_mP84_10_i4m3n10o_7o v003	view	4015360
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_oC108_63_acd2fg2h_cfgh v003	view	1990705
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_oC108_65_ehnopq2r_gopr v003	view	2610067
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_oC24_20_abc_c v003	view	1326877
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_oC48_63_defg_h v003	view	1032798
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_oC48_64_cdef_g v003	view	2748904
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_oC48_68_cegh_i v003	view	1541785
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_oC72_36_2a5b_2a2b v003	view	5576169
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_oC72_63_def3g_2c2g v003	view	5165489
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_oC96_21_2ehk6l_4l v003	view	1069257
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_oF216_69_himn3p_f2mp v003	view	4031851
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_oF48_70_ce_f v003	view	843713
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_oF96_70_c2ef_h v003	view	2985382
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_oI108_71_egkl2n2o_hlno v003	view	2358035
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_oI24_24_bcd_2a v003	view	660980
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_oP12_60_d_c v003	view	1065574
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_oP24_48_eghi_m v003	view	4708528
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_oP24_50_eghi_m v003	view	510688
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_oP24_54_abcd_f v003	view	1935697
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_oP24_54_acde_f v003	view	1443826
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_oP24_56_ace_e v003	view	4077415
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_oP36_60_3d_cd v003	view	1138038
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_oP72_19_12a_6a v003	view	2913915
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tI12_122_d_a v003	view	695089
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tI24_98_ce_f v003	view	234412
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tI48_120_ehi_i v003	view	3434034
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tI48_121_2ij_fi v003	view	1204567
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tI48_121_fij_j v003	view	4714133
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tI48_98_2cef_g v003	view	4048509
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tI96_140_ehlm_jl v003	view	3665529
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tI96_140_ijkl_m v003	view	3993341
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tI96_141_cehi_gh v003	view	8868896
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tI96_141_fg2h_i v003	view	6813626
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tP12_92_b_a v003	view	1961720
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tP24_116_eij_j v003	view	3770826
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tP24_118_fhi_i v003	view	5867784
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tP24_125_efk_m v003	view	949152
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tP24_132_fil_n v003	view	309876
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tP24_95_bcd_d v003	view	1035388
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tP36_92_3b_ab v003	view	3277759
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tP36_96_3b_ab v003	view	4930002
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tP48_114_4e_2e v003	view	6921749
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tP48_125_ijlm_n v003	view	2079263
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tP48_126_f2hi_k v003	view	974294
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tP48_126_fik_k v003	view	8470466
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tP48_133_hjk_k v003	view	705418
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tP48_85_4g_2g v003	view	934740
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tP6_136_f_a v003	view	2800776
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tP96_127_fg2jk2l_jkl v003	view	6077154
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_cF136_227_aeg v003	view	3240121
Equilibrium crystal structure and energy for Al in AFLOW crystal prototype A_cF4_225_a v003	view	214748
Equilibrium crystal structure and energy for Ca in AFLOW crystal prototype A_cF4_225_a v003	view	154087
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_cF4_225_a v003	view	150381
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_cF8_227_a v003	view	445350
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_cI12_229_d v003	view	292016
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_cI16_206_c v003	view	304427
Equilibrium crystal structure and energy for Al in AFLOW crystal prototype A_cI2_229_a v003	view	159920
Equilibrium crystal structure and energy for Ca in AFLOW crystal prototype A_cI2_229_a v003	view	177836
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_cI82_217_acgh v003	view	3094633
Equilibrium crystal structure and energy for Ca in AFLOW crystal prototype A_cP1_221_a v003	view	135252
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_cP46_223_cik v003	view	2409681
Equilibrium crystal structure and energy for Ca in AFLOW crystal prototype A_hP1_191_a v003	view	196252
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_hP1_191_a v003	view	136224
Equilibrium crystal structure and energy for Ca in AFLOW crystal prototype A_hP2_194_c v003	view	156518
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_hP2_194_c v003	view	147890
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_hP40_191_hjmno v003	view	2119248
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_hP4_194_f v003	view	179838
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_hP58_164_2d3i3j v003	view	4298466
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_hP68_194_ef2h2kl v003	view	8391917
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_mC164_15_e20f v003	view	6683299
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_mC16_12_4i v003	view	368752
Equilibrium crystal structure and energy for Ca in AFLOW crystal prototype A_oC2_65_a v003	view	185202
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_oC92_63_ce2f2g3h v003	view	2179279
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_oF16_69_gh v003	view	224447
Equilibrium crystal structure and energy for Ca in AFLOW crystal prototype A_oF4_69_a v003	view	183921
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_tI4_141_a v003	view	189846
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_tI8_139_h v003	view	140173
Equilibrium crystal structure and energy for Ca in AFLOW crystal prototype A_tI8_140_h v003	view	145459
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_tP106_137_a5g4h v003	view	18142085

TriclinicPBCEnergyAndForces__TD_892847239811_003

Potential energy and atomic forces of periodic, non-orthogonal cell of atoms v003

Creators: Daniel S. Karls
Contributor: karls
Publication Year: 2019
DOI: https://doi.org/10.25950/c3dca28e

Given an extended xyz file corresponding to a non-orthogonal periodic box of atoms, use LAMMPS to compute the total potential energy and atomic forces.

Test	Link to Test Results page	Benchmark time Usertime multiplied by the Whetstone Benchmark. This number can be used (approximately) to compare the performance of different models independently of the architecture on which the test was run. Measured in Millions of Whetstone Instructions (MWI)
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	2503
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	4344
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	5374
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	2061
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3166
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	1914
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	5522
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3607
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3092
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	5301
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	1325
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	11043
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	1988
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	4785
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	1546
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	7730
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	4049
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	2209
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	2650
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	2577
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	1841
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	2135
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	4417
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	1767
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	1620
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3166
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	1620
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	1988
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	1767
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	2061
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	2798
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	2061
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3607
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	1988
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	4196
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	2209
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	6994
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	2282
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	1472
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	1325
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	4417
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	2503
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	2577
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	1693
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	2650
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	1988
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	1767
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	1546
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	1399
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3313
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	2061
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	1620
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	6920
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	1767
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	4196
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	4123
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	2577
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	2650
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	10160
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	1914
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3460
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	1767
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	1693
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	2209
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3976
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	3607
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	2945
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	1767
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	1841
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	2135
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	2503
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	1767
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	2135
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	1914
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	view	2282
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3681
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3239
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1988
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	2282
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3018
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	2282
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	5301
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	2356
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	2871
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3018
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1472
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	2135
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	2061
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	2356
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3755
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	2724
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3755
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	6258
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1988
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1767
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1914
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3828
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1988
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	2282
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	5448
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1841
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1841
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	2503
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	2135
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	2061
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	2503
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	4196
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	2429
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3313
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1693
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1914
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1914
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1546
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	2724
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1767
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3239
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1620
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1472
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1914
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3166
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3387
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1914
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	4270
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1693
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	2135
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3166
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1841
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	2577
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1914
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	8245
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	4859
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	2061
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	2577
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3534
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	2724
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1546
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	2209
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	2135
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3018
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1546
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	4049
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1914
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	2429
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	4859
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1914
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	2135
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	9571
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3313
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	2429
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	2650
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1988
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	2135
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	2724
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1914
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1399
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	5595
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	2945
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1914
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	2429
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1988
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	2061
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	2503
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	2503
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	2724
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	2135
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	2798
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	4123
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	2282
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3607
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3092
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	2503
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	2061
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	1546
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3460
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	view	3239
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	view	3239
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	view	1693
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	view	1620
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	view	2135
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	view	2650
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	view	2356
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	view	1988
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	view	2429
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	view	2871
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	view	1620
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	view	2577
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	view	10749
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	view	4785
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	view	2135
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	view	2429
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	view	1841
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	view	2061
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	view	1841
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	view	1841
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	view	8393
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	view	1914
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	view	2945
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	view	3239
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	view	2724
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	view	2282
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	view	1620
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	view	3092
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	view	1620
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	view	3387
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	view	4712
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	view	1914
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	view	2061
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	view	3681
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	view	3387
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	view	1914
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	view	3460
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	view	4785
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	view	8614
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	view	2945
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	view	2135

Errors

ClusterEnergyAndForces__TD_000043093022_003

Test	Error Categories	Link to Error page
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view
Conjugate gradient relaxation of random finite cluster of Si atoms v003	other	view

ElasticConstantsCrystal__TD_034002468289_000

Test	Error Categories	Link to Error page
Elastic constants for AlCaO in AFLOW crystal prototype A12BC19_hP64_194_ab2fk_c_efh2k at zero temperature and pressure v000	other	view
Elastic constants for AlCaOSi in AFLOW crystal prototype A12BC27D4_hP44_147_2g_a_bd4g_2d at zero temperature and pressure v000	other	view
Elastic constants for AlCa in AFLOW crystal prototype A14B13_mC54_12_gh3ij_a2i2j at zero temperature and pressure v000	other	view
Elastic constants for AlCaOSi in AFLOW crystal prototype A2B2C7D_tP24_113_e_e_cef_a at zero temperature and pressure v000	other	view
Elastic constants for AlCaSi in AFLOW crystal prototype A2B3C2_oI14_71_e_af_f at zero temperature and pressure v000	other	view
Elastic constants for AlCaO in AFLOW crystal prototype A2B3C6_cP33_221_cd_ag_fh at zero temperature and pressure v000	other	view
Elastic constants for OSi in AFLOW crystal prototype A2B_aP18_1_12a_6a at zero temperature and pressure v000	other	view
Elastic constants for OSi in AFLOW crystal prototype A2B_aP48_2_16i_8i at zero temperature and pressure v000	other	view
Elastic constants for OSi in AFLOW crystal prototype A2B_cF12_225_c_a at zero temperature and pressure v000	other	view
Elastic constants for OSi in AFLOW crystal prototype A2B_cF144_210_fg_g at zero temperature and pressure v000	other	view
Elastic constants for OSi in AFLOW crystal prototype A2B_cF24_227_c_a at zero temperature and pressure v000	other	view
Elastic constants for OSi in AFLOW crystal prototype A2B_cF408_227_efgh_aeg at zero temperature and pressure v000	other	view
Elastic constants for OSi in AFLOW crystal prototype A2B_cF96_227_cf_e at zero temperature and pressure v000	other	view
Elastic constants for OSi in AFLOW crystal prototype A2B_cI144_206_2de_e at zero temperature and pressure v000	other	view
Elastic constants for OSi in AFLOW crystal prototype A2B_cI48_206_ad_c at zero temperature and pressure v000	other	view
Elastic constants for OSi in AFLOW crystal prototype A2B_cI72_199_2bc_c at zero temperature and pressure v000	other	view
Elastic constants for OSi in AFLOW crystal prototype A2B_cI72_211_hi_i at zero temperature and pressure v000	other	view
Elastic constants for OSi in AFLOW crystal prototype A2B_cI72_230_g_d at zero temperature and pressure v000	other	view
Elastic constants for OSi in AFLOW crystal prototype A2B_cP12_205_c_a at zero temperature and pressure v000	other	view
Elastic constants for OSi in AFLOW crystal prototype A2B_cP144_224_ij2k_l at zero temperature and pressure v000	other	view
Elastic constants for OSi in AFLOW crystal prototype A2B_cP24_198_ab_2a at zero temperature and pressure v000	other	view
Elastic constants for OSi in AFLOW crystal prototype A2B_cP36_195_fgj_j at zero temperature and pressure v000	other	view
Elastic constants for OSi in AFLOW crystal prototype A2B_cP72_205_2d_d at zero temperature and pressure v000	other	view
Elastic constants for OSi in AFLOW crystal prototype A2B_cP72_223_jk_j at zero temperature and pressure v000	other	view
Elastic constants for OSi in AFLOW crystal prototype A2B_hP12_182_cg_f at zero temperature and pressure v000	other	view
Elastic constants for OSi in AFLOW crystal prototype A2B_hP12_194_cg_f at zero temperature and pressure v000	other	view
Elastic constants for OSi in AFLOW crystal prototype A2B_hP18_162_fgi_k at zero temperature and pressure v000	other	view
Elastic constants for OSi in AFLOW crystal prototype A2B_hP18_179_ab_b at zero temperature and pressure v000	other	view
Elastic constants for OSi in AFLOW crystal prototype A2B_hP18_194_gh_h at zero temperature and pressure v000	other	view
Elastic constants for OSi in AFLOW crystal prototype A2B_hP36_162_2ijk_l at zero temperature and pressure v000	other	view
Elastic constants for OSi in AFLOW crystal prototype A2B_hP36_163_g3h_i at zero temperature and pressure v000	other	view
Elastic constants for OSi in AFLOW crystal prototype A2B_hP36_163_ghi_i at zero temperature and pressure v000	other	view
Elastic constants for OSi in AFLOW crystal prototype A2B_hP36_177_j2lm_n at zero temperature and pressure v000	other	view
Elastic constants for OSi in AFLOW crystal prototype A2B_hP36_177_jk2l_n at zero temperature and pressure v000	other	view
Elastic constants for OSi in AFLOW crystal prototype A2B_hP36_181_fhij_k at zero temperature and pressure v000	other	view
Elastic constants for OSi in AFLOW crystal prototype A2B_hP36_194_ghk_k at zero temperature and pressure v000	other	view
Elastic constants for OSi in AFLOW crystal prototype A2B_hP72_180_4k_gik at zero temperature and pressure v000	other	view

EquilibriumCrystalStructure__TD_457028483760_000

Test	Error Categories	Link to Error page
Equilibrium crystal structure and energy for CaSi in AFLOW crystal prototype A14B19_hR66_167_b2cef_2ce2f v000	other	view
Equilibrium crystal structure and energy for AlO in AFLOW crystal prototype A2B3_hR10_167_c_e v000	other	view
Equilibrium crystal structure and energy for AlO in AFLOW crystal prototype A2B3_mC10_12_i_ai v000	other	view
Equilibrium crystal structure and energy for AlO in AFLOW crystal prototype A2B3_mC20_12_2i_3i v000	other	view
Equilibrium crystal structure and energy for AlO in AFLOW crystal prototype A2B3_oC20_63_ac_cf v000	other	view
Equilibrium crystal structure and energy for AlO in AFLOW crystal prototype A2B3_oP20_60_d_cd v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_aP48_2_16i_8i v000	other	view
Equilibrium crystal structure and energy for AlO in AFLOW crystal prototype A2B_cF12_225_c_a v000	other	view
Equilibrium crystal structure and energy for CaSi in AFLOW crystal prototype A2B_cF12_225_c_a v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_cF12_225_c_a v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_cF144_210_fg_g v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_cF24_227_c_a v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_cF408_227_efgh_aeg v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_cF96_227_cf_e v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_cI144_206_2de_e v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_cI48_206_ad_c v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_cI72_199_2bc_c v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_cI72_211_hi_i v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_cI72_230_g_d v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_cP12_205_c_a v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_cP144_224_ij2k_l v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_cP24_198_ab_2a v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_cP36_195_fgj_j v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_cP72_205_2d_d v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_cP72_223_jk_j v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_hP12_194_cg_f v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_hP18_162_fgi_k v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_hP18_179_ab_b v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_hP18_194_gh_h v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_hP36_162_2ijk_l v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_hP36_163_g3h_i v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_hP36_163_ghi_i v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_hP36_177_j2lm_n v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_hP36_177_jk2l_n v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_hP36_194_ghk_k v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_hP72_180_4k_gik v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_hP9_154_c_a v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_hP9_180_i_d v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_hR18_148_2f_f v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_hR18_148_def_f v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_hR18_166_def_h v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_hR18_167_de_e v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_hR36_166_2fgh_i v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_hR36_166_fg2h_i v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_hR36_167_d3e_f v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_hR36_167_def_f v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_hR72_148_8f_4f v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_mC168_12_e7i10j_7j v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_mC24_15_aef_f v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_mC24_5_ab3c_2c v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_mC24_9_4a_2a v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_mC48_15_ae3f_2f v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_mC72_12_2ghi4j_3j v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_mC72_12_eg2i4j_3j v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_mC72_12_gh2i4j_3j v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_mC96_12_g3i6j_4j v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_mP12_3_ab3e_2e v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_mP12_6_2a2b2c_2a2b v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_mP24_14_4e_2e v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_mP54_13_ae8g_f4g v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_mP84_10_i4m3n10o_7o v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_oC108_63_acd2fg2h_cfgh v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_oC108_65_ehnopq2r_gopr v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_oC48_63_defg_h v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_oC48_64_cdef_g v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_oC48_68_cegh_i v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_oC72_36_2a5b_2a2b v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_oC72_63_def3g_2c2g v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_oC96_21_2ehk6l_4l v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_oF216_69_himn3p_f2mp v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_oF48_70_ce_f v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_oF96_70_c2ef_h v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_oI108_71_egkl2n2o_hlno v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_oI24_24_bcd_2a v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_oP12_60_d_c v000	other	view
Equilibrium crystal structure and energy for CaSi in AFLOW crystal prototype A2B_oP12_62_2c_c v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_oP24_48_eghi_m v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_oP24_50_eghi_m v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_oP24_54_abcd_f v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_oP24_54_acde_f v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_oP24_56_ace_e v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_oP36_60_3d_cd v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tI24_98_ce_f v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tI48_120_ehi_i v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tI48_121_2ij_fi v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tI48_121_fij_j v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tI48_98_2cef_g v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tI96_140_ehlm_jl v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tI96_140_ijkl_m v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tI96_141_cehi_gh v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tI96_141_fg2h_i v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tP12_92_b_a v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tP24_116_eij_j v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tP24_118_fhi_i v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tP24_125_efk_m v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tP24_132_fil_n v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tP24_95_bcd_d v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tP36_96_3b_ab v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tP48_114_4e_2e v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tP48_125_ijlm_n v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tP48_126_f2hi_k v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tP48_126_fik_k v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tP48_133_hjk_k v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tP48_85_4g_2g v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tP6_136_f_a v000	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tP96_127_fg2jk2l_jkl v000	other	view
Equilibrium crystal structure and energy for AlSi in AFLOW crystal prototype A4B19_aP46_1_8a_38a v000	other	view
Equilibrium crystal structure and energy for CaSi in AFLOW crystal prototype A5B3_tI32_140_cl_ah v000	other	view
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_cF136_227_aeg v000	other	view
Equilibrium crystal structure and energy for Al in AFLOW crystal prototype A_cF4_225_a v000	other	view
Equilibrium crystal structure and energy for Ca in AFLOW crystal prototype A_cF4_225_a v000	other	view
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_cF4_225_a v000	other	view
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_cF8_227_a v000	other	view
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_cI12_229_d v000	other	view
Equilibrium crystal structure and energy for Al in AFLOW crystal prototype A_cI2_229_a v000	other	view
Equilibrium crystal structure and energy for Ca in AFLOW crystal prototype A_cI2_229_a v000	other	view
Equilibrium crystal structure and energy for Ca in AFLOW crystal prototype A_cP1_221_a v000	other	view
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_cP46_223_cik v000	other	view
Equilibrium crystal structure and energy for Ca in AFLOW crystal prototype A_hP1_191_a v000	other	view
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_hP1_191_a v000	other	view
Equilibrium crystal structure and energy for Ca in AFLOW crystal prototype A_hP2_194_c v000	other	view
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_hP2_194_c v000	other	view
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_hP40_191_hjmno v000	other	view
Equilibrium crystal structure and energy for O in AFLOW crystal prototype A_hP4_194_f v000	other	view
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_hP4_194_f v000	other	view
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_hP58_164_2d3i3j v000	other	view
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_hP68_194_ef2h2kl v000	other	view
Equilibrium crystal structure and energy for O in AFLOW crystal prototype A_hR2_166_c v000	other	view
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_mC164_15_e20f v000	other	view
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_mC16_12_4i v000	other	view
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_oC92_63_ce2f2g3h v000	other	view
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_tI4_141_a v000	other	view
Equilibrium crystal structure and energy for Ca in AFLOW crystal prototype A_tI8_140_h v000	other	view
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_tP106_137_a5g4h v000	other	view
Equilibrium crystal structure and energy for CaSi in AFLOW crystal prototype AB2_hP3_164_a_d v000	other	view
Equilibrium crystal structure and energy for CaSi in AFLOW crystal prototype AB2_hP3_191_a_d v000	other	view
Equilibrium crystal structure and energy for CaSi in AFLOW crystal prototype AB2_hR3_166_a_c v000	other	view
Equilibrium crystal structure and energy for CaSi in AFLOW crystal prototype AB2_hR6_166_c_2c v000	other	view
Equilibrium crystal structure and energy for CaSi in AFLOW crystal prototype AB2_tI12_141_a_e v000	other	view
Equilibrium crystal structure and energy for CaO in AFLOW crystal prototype AB2_tI6_139_a_e v000	other	view
Equilibrium crystal structure and energy for CaSi in AFLOW crystal prototype AB3_tI32_139_de_im v000	other	view
Equilibrium crystal structure and energy for AlO in AFLOW crystal prototype AB_cF8_225_a_b v000	other	view
Equilibrium crystal structure and energy for CaO in AFLOW crystal prototype AB_cF8_225_a_b v000	other	view
Equilibrium crystal structure and energy for CaO in AFLOW crystal prototype AB_hP4_194_c_d v000	other	view
Equilibrium crystal structure and energy for CaSi in AFLOW crystal prototype AB_oC8_63_c_c v000	other	view
Equilibrium crystal structure and energy for CaSi in AFLOW crystal prototype AB_oP4_47_i_i v000	other	view

EquilibriumCrystalStructure__TD_457028483760_001

Test	Error Categories	Link to Error page
Equilibrium crystal structure and energy for CaSi in AFLOW crystal prototype AB2_tI24_141_c_h v001	other	view

EquilibriumCrystalStructure__TD_457028483760_002

Test	Error Categories	Link to Error page
Equilibrium crystal structure and energy for AlCaO in AFLOW crystal prototype A12BC19_hP64_194_ab2fk_c_efh2k v001	other	view
Equilibrium crystal structure and energy for AlO in AFLOW crystal prototype A2B3_oP40_33_4a_6a v002	other	view
Equilibrium crystal structure and energy for CaOSi in AFLOW crystal prototype A2B4C_oP84_33_6a_12a_3a v001	other	view
Equilibrium crystal structure and energy for AlOSi in AFLOW crystal prototype A2B5C_aP32_2_4i_10i_2i v001	other	view
Equilibrium crystal structure and energy for AlOSi in AFLOW crystal prototype A2B5C_mC32_15_f_e2f_c v001	other	view
Equilibrium crystal structure and energy for AlOSi in AFLOW crystal prototype A2B5C_oP32_58_eg_3gh_g v001	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_aP18_1_12a_6a v002	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_hP12_182_cg_f v002	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_hP36_181_fhij_k v002	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_hR9_155_de_e v002	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_mC24_15_cef_f v002	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_mC24_5_4c_2c v002	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_mC72_8_4a10b_6b v002	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_mP12_13_abce_g v002	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_mP12_4_4a_2a v002	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_oP72_19_12a_6a v002	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tI12_122_d_a v002	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tP36_92_3b_ab v002	other	view
Equilibrium crystal structure and energy for AlCa in AFLOW crystal prototype A3B8_aP22_2_be2i_8i v001	other	view
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_cI16_206_c v002	other	view
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_cI82_217_acgh v002	other	view
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_hR8_148_cf v002	other	view
Equilibrium crystal structure and energy for O in AFLOW crystal prototype A_mC16_12_2ij v002	other	view
Equilibrium crystal structure and energy for O in AFLOW crystal prototype A_mC4_12_i v002	other	view
Equilibrium crystal structure and energy for O in AFLOW crystal prototype A_oC12_63_cg v002	other	view
Equilibrium crystal structure and energy for Ca in AFLOW crystal prototype A_oC2_65_a v002	other	view
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_oF16_69_gh v002	other	view
Equilibrium crystal structure and energy for Ca in AFLOW crystal prototype A_oF4_69_a v002	other	view
Equilibrium crystal structure and energy for O in AFLOW crystal prototype A_oP24_61_3c v002	other	view
Equilibrium crystal structure and energy for Si in AFLOW crystal prototype A_tI8_139_h v002	other	view
Equilibrium crystal structure and energy for CaOSi in AFLOW crystal prototype AB3C_cI40_204_ab_g_c v001	other	view
Equilibrium crystal structure and energy for CaOSi in AFLOW crystal prototype AB3C_mC120_15_c3ef_9f_3f v001	other	view
Equilibrium crystal structure and energy for CaOSi in AFLOW crystal prototype AB3C_mC60_15_cf_e4f_ef v001	other	view
Equilibrium crystal structure and energy for CaOSi in AFLOW crystal prototype AB3C_oI20_74_e_eg_a v001	other	view
Equilibrium crystal structure and energy for CaOSi in AFLOW crystal prototype AB3C_oP20_62_c_cd_a v001	other	view
Equilibrium crystal structure and energy for CaOSi in AFLOW crystal prototype AB3C_tI20_140_b_ah_c v001	other	view
Equilibrium crystal structure and energy for CaOSi in AFLOW crystal prototype AB3C_tI40_139_abc_hn_f v001	other	view
Equilibrium crystal structure and energy for CaOSi in AFLOW crystal prototype AB3C_tP10_127_c_bg_a v001	other	view
Equilibrium crystal structure and energy for CaOSi in AFLOW crystal prototype AB5C2_aP32_2_2i_10i_be3i v001	other	view

EquilibriumCrystalStructure__TD_457028483760_003

Test	Error Categories	Link to Error page
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_aP12_1_8a_4a v003	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_aP24_1_16a_8a v003	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_aP36_1_24a_12a v003	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_aP54_1_36a_18a v003	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_cI36_217_g_d v003	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_mC18_5_3c_ac v003	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_mC72_5_12c_ab5c v003	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_mC96_12_4i6j_2i3j v003	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_mP12_7_4a_2a v003	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_mP48_14_8e_4e v003	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_mP48_14_ad7e_4e v003	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_oC24_20_abc_c v003	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_oI24_46_abc_c v003	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_oP12_33_2a_a v003	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_oP24_19_4a_2a v003	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_oP48_55_gh3i_2i v003	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tI24_82_2g_g v003	other	view
Equilibrium crystal structure and energy for OSi in AFLOW crystal prototype A2B_tP3_123_h_a v003	other	view
Equilibrium crystal structure and energy for Ca in AFLOW crystal prototype A_tI2_139_a v003	other	view

LatticeConstantCubicEnergy__TD_475411767977_007

Test	Error Categories	Link to Error page
Equilibrium zero-temperature lattice constant for bcc Al v007	other	view
Equilibrium zero-temperature lattice constant for bcc Ca v007	other	view
Equilibrium zero-temperature lattice constant for bcc O v007	other	view
Equilibrium zero-temperature lattice constant for bcc Si v007	other	view
Equilibrium zero-temperature lattice constant for diamond Al v007	other	view
Equilibrium zero-temperature lattice constant for diamond Ca v007	other	view
Equilibrium zero-temperature lattice constant for diamond O v007	other	view
Equilibrium zero-temperature lattice constant for diamond Si v007	other	view
Equilibrium zero-temperature lattice constant for fcc Al v007	other	view
Equilibrium zero-temperature lattice constant for fcc Ca v007	other	view
Equilibrium zero-temperature lattice constant for fcc O v007	other	view
Equilibrium zero-temperature lattice constant for fcc Si v007	other	view
Equilibrium zero-temperature lattice constant for sc Al v007	other	view
Equilibrium zero-temperature lattice constant for sc Ca v007	other	view
Equilibrium zero-temperature lattice constant for sc O v007	other	view
Equilibrium zero-temperature lattice constant for sc Si v007	other	view

LatticeConstantHexagonalEnergy__TD_942334626465_005

Test	Error Categories	Link to Error page
Equilibrium lattice constants for hcp Al v005	other	view
Equilibrium lattice constants for hcp Ca v005	other	view
Equilibrium lattice constants for hcp O v005	other	view
Equilibrium lattice constants for hcp Si v005	other	view

TriclinicPBCEnergyAndForces__TD_892847239811_003

Test	Error Categories	Link to Error page
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed bcc structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed diamond structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed random structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	other	view
Potential energy and atomic forces of periodic, non-orthogonal cell of Si atoms in a perturbed sh structure v003	other	view

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ForcesNumerDeriv__VC_710586816390_003	other	view
InversionSymmetry__VC_021653764022_002	other	view
MemoryLeak__VC_561022993723_004	other	view
Objectivity__VC_813478999433_002	other	view
PeriodicitySupport__VC_895061507745_004	other	view
PermutationSymmetry__VC_903502816694_002	other	view
SpeciesSupportedAsStated__VC_651200051721_002	other	view
ThreadSafety__VC_881176209980_005	other	view

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