{ "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" 2.865948021411896 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.865948021411896e-10 } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "minimum-atom-separation" { "source-value" [ 2.47922083152003 2.37057734355971 2.36530831289292 2.37598505515933 2.34784203305744 2.34238564453489 2.35590037758423 2.33651149631795 2.32507544768492 2.28104386410825 2.27523435589963 2.38323936844284 2.27016152090804 2.26797339382168 2.28343846045171 2.29238943076025 2.30317476826637 2.29501596646955 2.30352023400679 2.30441237262236 2.31509474057786 2.31275007575617 2.4449905739433 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.47922083152003e-10 2.3705773435597103e-10 2.36530831289292e-10 2.37598505515933e-10 2.34784203305744e-10 2.3423856445348904e-10 2.3559003775842303e-10 2.33651149631795e-10 2.3250754476849198e-10 2.2810438641082502e-10 2.27523435589963e-10 2.38323936844284e-10 2.2701615209080402e-10 2.2679733938216802e-10 2.28343846045171e-10 2.2923894307602502e-10 2.30317476826637e-10 2.2950159664695502e-10 2.3035202340067902e-10 2.3044123726223602e-10 2.3150947405778601e-10 2.3127500757561702e-10 2.4449905739433003e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.013191610441517527 0.9433520973776628 0.9816491245453357 1.0542901310908126 1.091769943405353 1.2077662064285166 1.236056445102175 1.206713514432198 1.3026272831519103 1.3072719272850393 1.3075996384583646 1.2222241093428863 1.284397177071171 1.2818538855057575 1.2697823857333326 1.2126799541506648 1.148015413384123 1.072320137028066 0.9656917368192997 0.8801818838647372 0.8122579936850371 0.7354412389777761 0.014930559086514592 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.013191610441517527 0.9433520973776628 0.9816491245453357 1.0542901310908126 1.091769943405353 1.2077662064285166 1.236056445102175 1.206713514432198 1.3026272831519103 1.3072719272850393 1.3075996384583646 1.2222241093428863 1.284397177071171 1.2818538855057575 1.2697823857333326 1.2126799541506648 1.148015413384123 1.072320137028066 0.9656917368192997 0.8801818838647372 0.8122579936850371 0.7354412389777761 0.014930559086514592 ] } "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 ] } }