{ "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" 3.658364850282671 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.658364850282671e-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" [ 2.56485439513367 2.21996218780334 2.23924902284329 2.24536688976459 2.22744004328636 2.21549860051301 2.23857334077671 2.34397073641249 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.56485439513367e-10 2.21996218780334e-10 2.23924902284329e-10 2.24536688976459e-10 2.22744004328636e-10 2.21549860051301e-10 2.23857334077671e-10 2.34397073641249e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ -0.45522733242043606 -4.308310291963021 -4.06408524227608 -1.984921735597131 -3.4614887191903274 -1.7667950373719 -5.663611202696782 -2.3303600112371954 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ -0.4552273324204361 -4.308310291963021 -4.06408524227608 -1.984921735597131 -3.461488719190327 -1.7667950373719 -5.663611202696782 -2.330360011237195 ] } "short-name" { "source-value" [ "fcc" ] } "sigma" { "source-value" [ 5 401 311 39 21 113 365 23 ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" ] } "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 ] } }