{ "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" 2.863645806908607 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.863645806908607e-10 } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "minimum-atom-separation" { "source-value" [ 2.47545247834039 2.34749307455073 2.33562247193177 2.34631390028125 2.32129720994611 2.30373415953936 2.3093690220175 2.31511002440971 2.27072066820953 2.26832513408522 2.28835426897133 2.34075699409517 2.27478995948521 2.28675580118082 2.28172543102884 2.28424872326163 2.28220033139556 2.29661710753472 2.30607560938399 2.31356910563502 2.31689801982543 2.3251399583549 2.4580277653631 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.47545247834039e-10 2.3474930745507304e-10 2.33562247193177e-10 2.34631390028125e-10 2.3212972099461104e-10 2.30373415953936e-10 2.3093690220175e-10 2.31511002440971e-10 2.27072066820953e-10 2.2683251340852202e-10 2.2883542689713302e-10 2.34075699409517e-10 2.2747899594852102e-10 2.2867558011808198e-10 2.28172543102884e-10 2.28424872326163e-10 2.28220033139556e-10 2.2966171075347202e-10 2.3060756093839898e-10 2.31356910563502e-10 2.31689801982543e-10 2.3251399583549e-10 2.4580277653631e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.01321670694172843 0.8923557539907265 0.9192278489005996 0.9826908662768584 1.0005044401968166 1.1015211342917137 1.1620038388574274 1.1941815094034824 1.232876413643574 1.2293876473872103 1.2315069242317545 1.109784078485859 1.2065272453516882 1.180125714699824 1.192677192881057 1.1212327696984536 1.0863006592170135 1.013787315281602 0.9208916187442285 0.8439505070902216 0.781652168005767 0.670679482762754 0.014952163102543976 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01321670694172843 0.8923557539907265 0.9192278489005996 0.9826908662768584 1.0005044401968166 1.1015211342917137 1.1620038388574274 1.1941815094034824 1.232876413643574 1.2293876473872103 1.2315069242317545 1.109784078485859 1.2065272453516882 1.180125714699824 1.192677192881057 1.1212327696984536 1.0863006592170135 1.013787315281602 0.9208916187442285 0.8439505070902216 0.781652168005767 0.670679482762754 0.014952163102543976 ] } "short-name" { "source-value" [ "bcc" ] } "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" [ "Fe" "Fe" "Fe" "Fe" ] } "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 ] } }