{ "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" 3.623951092362404 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.623951092362404e-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" [ 2.37836456988484 2.41053978033086 2.19304781180141 2.35782772867086 2.32996733568343 2.36269034122776 2.29710853761503 2.27574176616222 2.30125577673232 2.26677379487359 2.20950891209451 2.32995204940763 2.2501598333577 2.26166557770505 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.37836456988484e-10 2.41053978033086e-10 2.19304781180141e-10 2.35782772867086e-10 2.32996733568343e-10 2.36269034122776e-10 2.29710853761503e-10 2.27574176616222e-10 2.30125577673232e-10 2.26677379487359e-10 2.20950891209451e-10 2.32995204940763e-10 2.2501598333577e-10 2.26166557770505e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ -1.724117717827366 -4.687943820885812 -3.222465691179286 -3.07300584441794 -0.9632811131251715 -3.736994033214983 -4.376882583713873 -1.5246390274892307 -0.351603271955609 -4.700865692825304 -1.065979135473816 0.0010912777346920252 -1.623743355713671 -0.7550283732096738 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ -1.724117717827366 -4.687943820885812 -3.222465691179286 -3.07300584441794 -0.9632811131251715 -3.736994033214983 -4.376882583713873 -1.524639027489231 -0.351603271955609 -4.700865692825304 -1.065979135473816 0.001091277734692025 -1.623743355713671 -0.7550283732096738 ] } "short-name" { "source-value" [ "fcc" ] } "sigma" { "source-value" [ 3 75 105 165 41 185 33 219 15 293 293 15 437 33 ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" ] } "tilt-angle" { "source-value" [ 0.0 23.07391806563098 34.04773236999154 38.572650822227786 44.41530859719298 52.20027756457278 62.96430821058772 69.97282751604145 78.46304096718453 88.83061719438597 91.16938280561406 101.5369590328155 110.02717248395858 117.03569178941231 ] "source-unit" "degrees" "si-unit" "radian" "si-value" [ 0.0 0.4027158415806617 0.5942450326942046 0.6732197580699728 0.7751933733103614 0.9110667139567219 1.098934489515255 1.221256227085009 1.369438406004566 1.550386746620723 1.591205906969071 1.772154247585227 1.920336426504785 2.042658164074539 ] } "tilt-axis" { "source-value" [ 1 1 2 ] } }