{ "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" 3.5213917419314393 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.52139174193144e-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" [ 2.46782232795108 2.20538410501525 2.21803416567627 2.18757460957378 2.28004930475051 2.19561511786682 2.15916638303745 2.19162684254911 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.46782232795108e-10 2.20538410501525e-10 2.21803416567627e-10 2.18757460957378e-10 2.28004930475051e-10 2.19561511786682e-10 2.15916638303745e-10 2.19162684254911e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.02215512856814031 1.5229337636225788 1.5059944908706988 1.5481881599672878 1.4568345561492797 1.4864155768671825 1.6119609609517083 1.5449578009454275 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.02215512856814031 1.522933763622579 1.505994490870699 1.548188159967288 1.45683455614928 1.486415576867183 1.611960960951708 1.544957800945427 ] } "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 ] } }