diff --git a/.pyiron b/.pyiron new file mode 100644 index 0000000000000000000000000000000000000000..bf7b355a78efb09a441dd75ad11a95b4a98ca5be --- /dev/null +++ b/.pyiron @@ -0,0 +1,5 @@ +[DEFAULT] +TOP_LEVEL_DIRs = ~ +PROJECT_PATHS = ~ +RESOURCE_PATHS = ~/resources +DATABASE_FILE = ~/resources/pyiron.db diff --git a/resources/lammps/potentials/atomicrex/AlLi.eam.fs b/resources/lammps/potentials/atomicrex/AlLi.eam.fs new file mode 100644 index 0000000000000000000000000000000000000000..a3dc2dc6a8d42c0f83d15f911ebd8b75a93e0983 --- /dev/null +++ b/resources/lammps/potentials/atomicrex/AlLi.eam.fs @@ -0,0 +1,90007 @@ +EAM file written by atomicrex [version 1.0.2-1.0.2-113-g349ab72] +Fit job: Atomicrex Job +Date: 2022-May-03 +2 Al Li +10000 0.001691366078828974 10000 0.00076007600760076 7.6 +13 26.9815385 0.0 NONE +6.661338147750939e-16 +-0.0169448892280647 +-0.03378686532673558 +-0.05052650436529105 +-0.0671643796655419 +-0.08370106181114179 +-0.100137118656869 +-0.1164731153379099 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AlLi.eam.fs Al Li\n']",['atomicrex/AlLi.eam.fs'],Atomicrex,AlLi-atomicrex,"['Al', 'Li']",{} \ No newline at end of file