{ "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" 4.050010219216347 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.050010219216347e-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" [ 2.77518441635934 2.56543225230563 2.55924171219067 2.56009096383642 2.65717096665828 2.63809202927796 2.53452186056247 2.60920986162898 2.55778690827569 2.57218453951564 2.55187298518359 2.60630216086018 2.56597228420667 2.58212384427457 2.56933695467818 2.59413563659551 2.54414445995974 2.61260810215495 2.61950649983234 2.60483349113565 2.60898939377435 2.62310559810635 2.84851172281664 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.7751844163593404e-10 2.56543225230563e-10 2.5592417121906704e-10 2.5600909638364205e-10 2.65717096665828e-10 2.63809202927796e-10 2.53452186056247e-10 2.60920986162898e-10 2.55778690827569e-10 2.5721845395156404e-10 2.5518729851835904e-10 2.60630216086018e-10 2.5659722842066704e-10 2.58212384427457e-10 2.56933695467818e-10 2.59413563659551e-10 2.54414445995974e-10 2.61260810215495e-10 2.61950649983234e-10 2.60483349113565e-10 2.60898939377435e-10 2.62310559810635e-10 2.8485117228166403e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.010440620216526733 0.48835158451475014 0.5091892703563102 0.5317326494326466 0.5545923803971892 0.5773370381557908 0.5928762612214711 0.5638228159299051 0.6119344528124142 0.6105526866863419 0.6112692466110925 0.5795134690752386 0.5644869745895096 0.5353071431894566 0.5365334467334127 0.4947129934205485 0.4730058153010394 0.42725531365362845 0.38152315570420775 0.34704190316837835 0.3283922456730228 0.2849867929870084 0.011809174407296539 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.010440620216526733 0.48835158451475014 0.5091892703563102 0.5317326494326466 0.5545923803971892 0.5773370381557908 0.5928762612214711 0.5638228159299051 0.6119344528124142 0.6105526866863419 0.6112692466110925 0.5795134690752386 0.5644869745895096 0.5353071431894566 0.5365334467334127 0.4947129934205485 0.4730058153010394 0.42725531365362845 0.38152315570420775 0.34704190316837835 0.3283922456730228 0.2849867929870084 0.011809174407296539 ] } "short-name" { "source-value" [ "fcc" ] } "sigma" { "source-value" [ 1 1 25 9 25 17 53 9 73 7 29 5 1 17 89 13 37 25 41 15 85 113 1 ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" ] } "tilt-angle" { "source-value" [ 0.0 14.250032697803595 16.26020470831196 18.924644416051233 22.619864948040426 28.072486935852957 31.890791801845708 36.86989764584402 41.112090439166934 43.60281897270362 46.39718102729638 53.13010235415598 59.48976259388444 61.92751306414704 64.01076641616699 67.38013505195957 71.07535558394876 73.73979529168804 77.31961650818018 79.61114218453038 81.20258929000894 82.3718503314193 90.0 ] "source-unit" "degrees" "si-unit" "radian" "si-value" [ 0.0 0.24870998909352293 0.2837941092083279 0.3302973548292537 0.3947911196997616 0.4899573262537284 0.5565993180102228 0.6435011087932845 0.7175413405411447 0.7610127542247299 0.809783572570167 0.9272952180016124 1.038292228493046 1.0808390005411685 1.117198630687125 1.1760052070951352 1.2404989719656432 1.287002217586569 1.3494818844471055 1.3894765523934065 1.417252544255341 1.4376599992432493 1.570796326794897 ] } "tilt-axis" { "source-value" [ 0 0 1 ] } }