{ "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" 3.658403038978577 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.658403038978577e-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" [ 2.36108482919166 2.31251752599405 2.18018161993824 2.2543585804964 2.29151294963336 2.20826780824827 2.20600818123955 2.28529262669929 2.269327306574 2.22274004729706 2.2583961493536 2.2716659050462 2.2005976359137 2.25096970440961 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.36108482919166e-10 2.31251752599405e-10 2.18018161993824e-10 2.2543585804964e-10 2.29151294963336e-10 2.20826780824827e-10 2.20600818123955e-10 2.28529262669929e-10 2.269327306574e-10 2.22274004729706e-10 2.2583961493536e-10 2.2716659050462e-10 2.2005976359137e-10 2.25096970440961e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ -1.3222736490646094 -7.008764526440705 -5.519369461630243 -3.597301776652465 -2.1742893647174886 -5.872261996447866 -4.179658377045309 -3.198250756361432 -1.7401251117042293 -7.495643014234517 -3.764131094199818 -3.2237252607379636 -3.940521564424959 -3.9705327984548764 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ -1.322273649064609 -7.008764526440705 -5.519369461630243 -3.597301776652465 -2.174289364717489 -5.872261996447866 -4.179658377045309 -3.198250756361432 -1.740125111704229 -7.495643014234517 -3.764131094199818 -3.223725260737964 -3.940521564424959 -3.970532798454876 ] } "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 ] } }