{ "property-id" "tag:brunnels@noreply.openkim.org,2016-02-18:property/grain-boundary-symmetric-tilt-energy-relaxed-relation-cubic-crystal" "instance-id" 1 "a" { "source-value" 4.9497474655508995 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.9497474655509e-10 } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "minimum-atom-separation" { "source-value" [ 3.4671304441293 3.12212549897918 3.14614227675667 3.12662071048536 3.16388083003196 3.12847058689605 3.09006640170626 3.12946434305703 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 3.4671304441293e-10 3.12212549897918e-10 3.14614227675667e-10 3.12662071048536e-10 3.16388083003196e-10 3.12847058689605e-10 3.09006640170626e-10 3.12946434305703e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.005140519728889777 0.2798762215786279 0.27333451631966493 0.26823389481553556 0.24158171330007733 0.24996226729758628 0.26212207436118984 0.2759880231372187 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.005140519728889777 0.2798762215786279 0.2733345163196649 0.2682338948155356 0.2415817133000773 0.2499622672975863 0.2621220743611898 0.2759880231372187 ] } "short-name" { "source-value" [ "fcc" ] } "sigma" { "source-value" [ 5 401 311 39 21 113 365 23 ] } "species" { "source-value" [ "Pb" "Pb" "Pb" "Pb" ] } "tilt-angle" { "source-value" [ 0.0 24.43269767945453 27.79577249602797 32.20422750397202 38.21321070173819 46.82644889274107 52.659006983369785 59.99999999999999 ] "source-unit" "degrees" "si-unit" "radian" "si-value" [ 0.0 0.4264310196508597 0.4851277481909706 0.562069803005627 0.6669463445036643 0.8172757101951847 0.9190730526904897 1.047197551196598 ] } "tilt-axis" { "source-value" [ 1 1 1 ] } }