-
Solute interactions with the pyramidal-II stacking fault
DFT-optimized structures of the pyramidal-II stacking fault with a solute in different atomic layers near the fault plane. The dataset include the VASP input files (except... -
Solute interactions with the (10-12) tension twin boundary
DFT-optimized structures of the (10-12) tension twin boundary with a solute at different sites near the boundary. The dataset include the VASP input files (except POTCAR) and... -
Solute interactions with the (10-11) compression twin boundary
DFT-optimized structures of the (10-11) compression twin boundary with a solute at different sites near the boundary. The dataset include the VASP input files (except POTCAR)... -
Solute size misfits
DFT-computed size misfits for 64 solute species in hcp Mg. The dataset includes the VASP input files (except POTCAR) and output files OSZICAR and OUTCAR, a script to compute the... -
Solute interactions with the <c+a> edge dislocation
Core structures of the edge dislocation with an Al, Ca, Mn, or Sn solute at different sites in the core. The dataset include the VASP input files (except POTCAR) and output... -
Solute interactions with the (10-11) twinning edge dislocation
DFT-optimized core structures of the (10-11) twinning edge dislocation with an Al or Ca solute at different sites in the core. The dataset include the VASP input files (except... -
<c+a> screw dislocation
DFT-optimized core structure of the screw dislocation. The dataset include the VASP input files (except POTCAR) and output files OSZICAR and OUTCAR. -
<c+a> edge dislocation
DFT-optimized core structure of the edge dislocation. The dataset include the VASP input files (except POTCAR) and output files OSZICAR and OUTCAR. -
(10-11) twinning edge dislocation
DFT-optimized core structure of the (10-11) twinning edge dislocation. The dataset include the VASP input files (except POTCAR) and output files OSZICAR and OUTCAR.
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These Terms of Use (“Terms”) are between you and Battelle Memorial Institute, Pacific Northwest Division BATTELLE (“BATTELLE”, “we”, or “us”) and govern your access to and use of the LightMat DataHub website (“Website”), which is provided by BATTELLE as Management and Operating Contractor of the Pacific Northwest National Laboratory (“PNNL”) on behalf of the United States Department of Energy. By accessing or using the Website, you agree to be bound by these Terms. If you are accepting these Terms on behalf of another legal entity, including your employer, another business, a government, etc., you represent that you have full legal authority to bind such entity to these terms. If you do not agree to these Terms, you must not use this Website.
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GENERAL
Any reference included in this Website to any specific commercial products, process, or service by trade name, trademark, manufacturer, or otherwise, does not necessarily constitute or imply its endorsement, recommendation, or favoring by the U.S. Government, PNNL, or BATTELLE. The views and opinions expressed on the Website or in any information or data available via the Website do not necessarily represent the views of the U.S. Government or BATTELLE.
Unless otherwise specified, the Website and any information or data available via the Website are presented solely for use and access from within the United States, its territories, possessions, and protectorates. BATTELLE makes no representation or warranty of any kind that the Website or any data available via the Website is appropriate or available for use in other locations. If you access the Website from a location other than the United States, you alone are responsible for compliance with any applicable local laws.
These Terms and any posted rules on the Website constitute the entire agreement of the parties with respect to the subject matter hereof. No waiver by BATTELLE of any breach or default under these Terms will be deemed to be a waiver of any preceding or subsequent breach or default. These Terms will be binding upon and inure to the benefit of BATTELLE and its successors, trustees, and permitted assignees. BATTELLE may assign this agreement or any of its rights or obligations under these Terms with or without notice to you.
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Before registering for a user account, please read and acknowledge your acceptance of this site’s Terms of Use.
Effective February 17, 2020
These Terms of Use (“Terms”) are between you and Battelle Memorial Institute, Pacific Northwest Division BATTELLE (“BATTELLE”, “we”, or “us”) and govern your access to and use of the LightMat DataHub website (“Website”), which is provided by BATTELLE as Management and Operating Contractor of the Pacific Northwest National Laboratory (“PNNL”) on behalf of the United States Department of Energy. By accessing or using the Website, you agree to be bound by these Terms. If you are accepting these Terms on behalf of another legal entity, including your employer, another business, a government, etc., you represent that you have full legal authority to bind such entity to these terms. If you do not agree to these Terms, you must not use this Website.
PRIVACY AND SECURITY
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This Website may be monitored by the U.S. government and any agency thereof (“U.S. Government”), by BATTELLE, or by others on their behalf, for security purposes to ensure it remains available to all users and to protect information in the system. You expressly consent to these monitoring activities.
Unauthorized attempts to defeat or circumvent security features, to use the system for other than intended purposes, to deny service to authorized users, to access, obtain, alter, damage, or destroy information, or otherwise interfere with the system or its operation are prohibited. Evidence of such acts may be disclosed to law enforcement authorities and result in criminal prosecution under the Computer Fraud and Abuse Act of 1986 (Pub. L. 990474) and the National Information Infrastructure Protection Act of 1996 (Pub. L. 104-294), (18 U.S.C. 1030), or other applicable criminal laws.
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By submitting any datasets or other information (“Data”) to BATTELLE via this Website, you represent and warrant that you have all rights, power, and authority necessary to comply with, and grant the rights contained within, these Terms. You must not submit any Data that is libelous, defamatory, obscene, pornographic, abusive, or otherwise violates any law or infringes or violates any rights of any other person or entity. You must not submit any Data that contains Personally Identifiable Information (PII) (except as expressly requested, such as to sign up for an account), classified information, information subject to export control classification (other than data classified as EAR99 under the Export Administration Regulations), or other sensitive information. BATTELLE is not responsible for any Data submitted by you. You alone are responsible for your submitted Data, and you may expose yourself to liability if you submit or share Data without all necessary rights.
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You retain any ownership rights you have in your Data but, by submitting your Data to BATTELLE via this Website, you are agreeing that BATTELLE may use your Data and provide your Data to others, including other visitors of this Website, subject to any applicable restrictions agreed upon in a signed agreement or agreements entered into by you and BATTELLE prior to your submission. To the extent you assert copyright in your Data, you automatically grant BATTELLE, when submitting such data, a worldwide, royalty-free, perpetual, irrevocable, non-exclusive, transferable, and sublicensable license to use, copy, modify, adapt, prepare derivative works from, distribute, perform, and display your Data in all media formats and channels now known or later developed, again subject to any applicable restrictions as mentioned above.
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Any ideas, suggestions, and feedback about this Website that you provide to BATTELLE are entirely voluntary, and by providing such ideas, suggestions, and feedback you are agreeing that BATTELLE may use such ideas, suggestions, and feedback without restriction and without compensation or obligation to you.
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Via this Website, you may have access to information that is protected under one or more written agreements between you and BATTELLE. You must treat such data in accordance with the applicable written agreement(s).
If you learn or suspect that you have access to information that you should not have access to (e.g., based on the content of the information, markings on the information, etc.), you must cease all access to such information, delete any stored copies of such information you may have, immediately notify BATTELLE, and cooperate with BATTELLE to ensure your access to such information is removed.
PUBLICATION AND NON-ENDORSEMENT
Appropriate citation—including the static text and DOI, as applicable—must be included in any publication made by you or on your behalf that includes or is in any way based on use of any data available via this Website.
You must not to use the names of the U.S. Government, the U.S. Department of Energy, the Pacific Northwest National Laboratory, Battelle Memorial Institute , or the provider(s) of any data available via this Website to endorse or promote any product, service, or entity without specific prior written authorization from such entity.
INDEMNITY, DISCLAIMER, AND LIMITATION OF LIABILITY
EXCEPT TO THE EXTENT PROHIBITED BY LAW, YOU AGREE TO INDEMNIFY THE U.S. GOVERNMENT, BATTELLE, AND THEIR RESPECTIVE SUBSIDIARIES, AFFILIATES, OFFICERS, AGENTS, AND EMPLOYEES AGAINST ANY THIRD PARTY CLAIM OR DEMAND, INCLUDING REASONABLE ATTORNEYS’ FEES, ARISING OUT OF OR RELATED TO YOUR VIOLATION OF THESE TERMS, YOUR VIOLATION OF APPLICABLE LAWS OR REGULATIONS, OR YOUR USE OF THE WEBSITE OR ANY DATA AVAILABLE VIA THE WEBSITE.
THIS WEBSITE AND ANY DATA AVAILABLE VIA THE WEBSITE ARE PROVIDED “AS IS” AND “AS AVAILABLE” WITHOUT WARRANTIES OF ANY KIND, EITHER EXPRESS OR IMPLIED, INCLUDING, BUT NOT LIMITED TO, IMPLIED WARRANTIES OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE, AND NON-INFRINGEMENT. BATTELLE, THE UNITED STATES GOVERNMENT, AND ANY THIRD-PARTY PROVIDERS OF DATA AVAILABLE VIA THE WEBSITE DO NOT WARRANT THAT THE WESBITE OR ANY DATA AVAILABLE VIA THE WEBSITE IS ACCURATE, COMPLETE, RELIABLE, CURRENT, OR ERROR FREE. BATTELLE DOES NOT CONTROL, ENDORSE, OR TAKE RESPONSIBILITY FOR ANY THIRD-PARTY DATA PROVIDED VIA THE WEBSITE OR THE ACTIONS OF ANY THIRD PARTY OR USER. WHILE BATTELLE ATTEMPTS TO MAKE YOUR ACCESS TO AND USE OF THE WEBSITE SAFE, BATTELLE DOES NOT REPRESENT OR WARRANT THAT THE WEBSITE OR SERVERS ARE FREE OF VIRUSES OR OTHER HARMFUL COMPONENTS. NEITHER BATTELLE NOR ANY THIRD-PARTY PROVIDERS OF DATA AVAILABLE VIA THE WEBSITE HAVE ANY OBLIGATION TO PROVIDE UPDATES, SUPPORT, CONSULTING, TRAINING, OR ASSISTANCE OF ANY KIND WHATSOEVER WITH REGARD TO ANY DATA AVAILABLE VIA THE WEBSITE OR USE THEREOF.
IN NO EVENT SHALL BATTELLE, THE U.S. GOVERNMENT, OR ANY THIRD PARTY PROVIDER OF DATA AVAILABLE VIA THE WEBSITE, NOR ANY OF THEIR OFFICERS, AGENTS, OR EMPLOYEES, BE LIABLE TO YOU FOR ANY DAMAGES WHATSOEVER, INCLUDING (BUT NOT LIMITED TO) ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, CONSEQUENTIAL, OR PUNITIVE DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) ARISING FROM OR RELATING TO THESE TERMS, THE WEBSITE, OR ANY DATA AVAILABLE VIA THE WEBSITE. ACCESS TO, AND USE OF, THE WEBSITE IS AT YOUR OWN DISCRETION AND RISK, AND YOU WILL BE SOLELY RESPONSIBLE FOR ANY DAMAGE TO YOUR DEVICE OR COMPUTER SYSTEM, OR LOSS OF DATA RESULTING THEREFROM. IN NO EVENT WILL THE AGGREGATE LIABILITY OF THE ABOVE ENTITIES EXCEED TEN U.S. DOLLARS ($10). THE LIMITATIONS OF THIS SECTION WILL APPLY TO ANY THEORY OF LIABILITY, INCLUDING THOSE BASED ON WARRANTY, CONTRACT, STATUTE, TORT (INCLUDING NEGLIGENCE) OR OTHERWISE, EVEN IF THE ABOVE ENTITIES HAVE BEEN ADVISED OF THE POSSIBILITY OF ANY SUCH DAMAGE, AND EVEN IF ANY REMEDY SET FORTH HEREIN IS FOUND TO HAVE FAILED ITS ESSENTIAL PURPOSE. THE FOREGOING LIMITATION OF LIABILITY WILL APPLY TO THE FULLEST EXTENT PERMITTED BY LAW IN THE APPLICABLE JURISDICTION.
TERMS SUBJECT TO CHANGE
BATTELLE may make changes to these Terms from time to time. If we make changes, we will post the amended Terms to this Website and update the Effective Date above. By continuing to access or use the Website on or after the Effective Date of the revised Terms, you agree to be bound by the revised Terms. If you do not agree to the revised Terms, you must stop accessing and using the Website before the changes become effective.
TERMINATION
BATTELLE may terminate this agreement and your access to or use of the Website at any time. BATTELLE also has the right to immediately terminate your access to or use of the Website in the event of any conduct by you which BATTELLE, in its sole discretion, considers to be unacceptable, or in the event of any breach by you of these Terms.
GOVERNING LAW AND JURISDICTION
Any claims arising out of or relating to these Terms or this Website will be governed exclusively by the laws of the United States of America and the State of Washington, without giving effect to their conflict of laws principles. You expressly consent to the exclusive forum, jurisdiction, and venue of the Courts of the State of Washington and the United States District Court for the Eastern District of Washington in any and all actions, disputes, or controversies relating to these Terms or this Website.
GENERAL
Any reference included in this Website to any specific commercial products, process, or service by trade name, trademark, manufacturer, or otherwise, does not necessarily constitute or imply its endorsement, recommendation, or favoring by the U.S. Government, PNNL, or BATTELLE. The views and opinions expressed on the Website or in any information or data available via the Website do not necessarily represent the views of the U.S. Government or BATTELLE.
Unless otherwise specified, the Website and any information or data available via the Website are presented solely for use and access from within the United States, its territories, possessions, and protectorates. BATTELLE makes no representation or warranty of any kind that the Website or any data available via the Website is appropriate or available for use in other locations. If you access the Website from a location other than the United States, you alone are responsible for compliance with any applicable local laws.
These Terms and any posted rules on the Website constitute the entire agreement of the parties with respect to the subject matter hereof. No waiver by BATTELLE of any breach or default under these Terms will be deemed to be a waiver of any preceding or subsequent breach or default. These Terms will be binding upon and inure to the benefit of BATTELLE and its successors, trustees, and permitted assignees. BATTELLE may assign this agreement or any of its rights or obligations under these Terms with or without notice to you.
