Name: Si-H-GAP reference
License: CC0-1.0

Dataset

Si-H-GAP_reference

Name	Si-H-GAP_reference
Extended ID	Si-H-GAP_reference_UnruhMeidanshahiGoodnickCsanyiZimanyi__DS_a3v4bu6mts6b_0
Description	A reference set of configurations of hydrogenated liquid and amorphous silicon from the datasets for Si-H-GAP. These configurations were used to evaluate training on a GAP model.
Authors	Davis Unruh Reza Vatan Meidanshahi Stephen M. Goodnick Gábor Csányi Gergely T. Zimányi
DOI	10.60732/54bc0a93 https://commons.datacite.org/doi.org/10.60732/54bc0a93 https://doi.datacite.org/dois/10.60732%2F54bc0a93 https://doi.org/10.60732/54bc0a93 Cite as: Unruh, D., Meidanshahi, R. V., Goodnick, S. M., Csányi, G., and Zimányi, G. T. "Si-H-GAP reference." ColabFit, 2023. https://doi.org/10.60732/54bc0a93. For other citation formats, see the DataCite Fabrica page for this dataset.
Elements	H (6.62%) Si (93.38%)
Number of Data Objects	114
Number of Configurations	114
Number of Atoms	24,895
Links	https://github.com/dgunruh/Si-H-GAP https://doi.org/10.1103/PhysRevMaterials.6.065603
Configuration Sets by Name	(None)
Configuration Sets by ID	(None)
Data Objects	DO_1203204810659817565 DO_2147140791363065410 DO_1625303488739672485 DO_998056984372767724 DO_1787319240477583268 DO_1416584739678786519 DO_1076757064013286592 DO_1238449762478124747 DO_2124675460301427253 DO_1384856326652934780 DO_1270149454278927700 DO_1099701941027514137 DO_420017420884401785 DO_122820689491663669 DO_414525450187875186 DO_223589597934717711 DO_1209122614229168112 DO_178779689180962457 DO_1747500342454160722 DO_971671287218391234 DO_1338322754054835794 DO_2122377087269454922 DO_581374749575709926 DO_1502950513892024002 DO_1895490478544408246 DO_206058489264625248 DO_696421013842084982 DO_963424121125509583 DO_115419329491235496 DO_1901424296177792460 DO_631230339259146685 DO_132275017567768964 DO_377657288581660461 DO_2079580573891273695 DO_1921583876695726236 DO_875327705601306365 DO_237824264187848455 DO_13498505333882308 DO_1564076307128265932 DO_519195918422181536 DO_734193538468209846 DO_1644167138489989467 DO_1736967699582706609 DO_2154491799587429225 DO_1757756502365576006 DO_1759485787727304493 DO_1773756236733962741 DO_80976308831663643 DO_459593916372146662 DO_671786706144367123 DO_480912437379201536 DO_1562601518936151959 DO_2186519676132800192 DO_1676414047221933807 DO_867353759169875744 DO_1848004734966355639 DO_659650747021319561 DO_1200878057724044145 DO_1598886457087841616 DO_465789521988552149 DO_687694483536048403 DO_538693925274530721 DO_1545054295160890886 DO_455238007426693939 DO_339090421606171028 DO_2296353014742283380 DO_1586641478425799668 DO_857691457175244242 DO_915402390569677739 DO_2166428767314433445 DO_163394366749273838 DO_75130895852215214 DO_1968613399109066716 DO_1538750779627312113 DO_1088170582047019109 DO_1931429371396966888 DO_1451880113156300232 DO_63857350191734330 DO_1158506866962969656 DO_1895637576798657502 DO_131275030519467265 DO_1997197321285089257 DO_1818818628635796784 DO_340074663214121654 DO_149638888525887005 DO_1324067223311743783 DO_1407962923043207213 DO_1857463312539446682 DO_1809798701251210889 DO_622061650067320116 DO_1076444050197503317 DO_2030105023701312834 DO_2003801163193205883 DO_422741603863638894 DO_617498393078690023 DO_80422702111908507 DO_348935115783125835 DO_844850812547738235 DO_206680891454695212 DO_2137004365990080443 DO_1133459064234504356 DO_1669824482307006772 DO_2138195297238649212 DO_1648571155021856932 DO_109766701369561253 DO_86897307919565701 DO_1619717518414347641 DO_2193996837357153062 DO_2286739712819048033 DO_254226704507723908 DO_1658102178245570533 DO_1662628945263980890 DO_224107863557237693 DO_1435653738856999758
ColabFit ID	DS_a3v4bu6mts6b_0
Files	colabfitspec.json

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