{ "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" 3.519618335366251 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.519618335366251e-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" [ 2.46589859910762 2.22127822468932 2.24533167019739 2.22738317862536 2.21698211739309 2.22117484862602 2.18360154192487 2.27702207327616 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.46589859910762e-10 2.22127822468932e-10 2.24533167019739e-10 2.22738317862536e-10 2.21698211739309e-10 2.22117484862602e-10 2.18360154192487e-10 2.27702207327616e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.02217512292453629 1.2606961924890632 1.2705259040664612 1.2918741906023754 1.2294063105032782 1.23734926554281 1.2514135097350003 1.3149085710836574 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.02217512292453629 1.260696192489063 1.270525904066461 1.291874190602375 1.229406310503278 1.23734926554281 1.251413509735 1.314908571083657 ] } "short-name" { "source-value" [ "fcc" ] } "sigma" { "source-value" [ 5 401 311 39 21 113 365 23 ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" ] } "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 ] } }