{ "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" 2.860195450484753 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.860195450484753e-10 } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "minimum-atom-separation" { "source-value" [ 2.47403300035242 2.26663942718727 2.27783324143646 2.21964600885869 2.32752640121045 2.28457762641657 2.22446509244762 2.33467210461052 2.25262944099913 2.22596533232413 2.27304195076798 2.35905969298372 2.24872487944414 2.23102445448053 2.29124392042308 2.27688521804223 2.28209365797322 2.28060671674807 2.27612835907948 2.27810319912163 2.29285616913684 2.29379228981578 2.45227314350394 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.47403300035242e-10 2.26663942718727e-10 2.27783324143646e-10 2.21964600885869e-10 2.32752640121045e-10 2.28457762641657e-10 2.2244650924476203e-10 2.33467210461052e-10 2.25262944099913e-10 2.22596533232413e-10 2.27304195076798e-10 2.35905969298372e-10 2.24872487944414e-10 2.2310244544805302e-10 2.2912439204230802e-10 2.2768852180422303e-10 2.2820936579732202e-10 2.28060671674807e-10 2.27612835907948e-10 2.2781031991216303e-10 2.2928561691368403e-10 2.2937922898157802e-10 2.4522731435039405e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.013217560028891509 0.9879851865436329 1.0147432087967359 1.0771349745790681 1.0797498176002236 1.1911678775023962 1.2090362694850492 1.1906994042228132 1.3110817509640553 1.2997284875627197 1.284726197412589 1.1780161562495877 1.2841564919826993 1.252011333132979 1.2679047087491915 1.205974056252321 1.180099863242532 1.168686275967652 1.0751664483442458 0.9580910276486124 0.8842291548282017 0.79429463510249 0.014960762839068912 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.013217560028891509 0.9879851865436329 1.0147432087967359 1.0771349745790681 1.0797498176002236 1.1911678775023962 1.2090362694850492 1.1906994042228132 1.3110817509640553 1.2997284875627197 1.284726197412589 1.1780161562495877 1.2841564919826993 1.252011333132979 1.2679047087491915 1.205974056252321 1.180099863242532 1.168686275967652 1.0751664483442458 0.9580910276486124 0.8842291548282017 0.79429463510249 0.014960762839068912 ] } "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 ] } }