{ "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" 2.8886456787586208 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.888645678758621e-10 } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "minimum-atom-separation" { "source-value" [ 2.45994348734502 2.28461841385781 2.29762827020996 2.28417760028839 2.30741687308705 2.26977694657513 2.35291967314311 2.3256090253081 2.33716396015728 2.31787539525522 2.29865052455099 2.34070347237672 2.26003903113405 2.25113707028337 2.27276383144128 2.32336130389977 2.2989186277504 2.30952542719879 2.31652949314604 2.3074918624398 2.33115450299895 2.30087946541 2.47510270412525 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.45994348734502e-10 2.2846184138578099e-10 2.2976282702099602e-10 2.2841776002883898e-10 2.3074168730870501e-10 2.2697769465751302e-10 2.3529196731431103e-10 2.3256090253081e-10 2.3371639601572797e-10 2.31787539525522e-10 2.2986505245509902e-10 2.34070347237672e-10 2.26003903113405e-10 2.2511370702833702e-10 2.2727638314412803e-10 2.32336130389977e-10 2.2989186277504003e-10 2.30952542719879e-10 2.3165294931460402e-10 2.3074918624398004e-10 2.33115450299895e-10 2.30087946541e-10 2.4751027041252497e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.012621635112653224 0.9973636185315846 1.0336179797034795 1.088403457036752 1.144182091648451 1.209902086365327 1.2375821957032267 1.1718824777075463 1.3005256182825404 1.3233199241316294 1.3419415547413456 1.2022051824509932 1.2935141621892345 1.267906839769239 1.2741549433297563 1.2323242505426104 1.2048833475339749 1.1805568886421558 1.06182998170508 0.9929682011949837 0.9208945170864273 0.8082791559986439 0.014279750045321284 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.012621635112653224 0.9973636185315846 1.0336179797034795 1.088403457036752 1.144182091648451 1.209902086365327 1.2375821957032267 1.1718824777075463 1.3005256182825404 1.3233199241316294 1.3419415547413456 1.2022051824509932 1.2935141621892345 1.267906839769239 1.2741549433297563 1.2323242505426104 1.2048833475339749 1.1805568886421558 1.06182998170508 0.9929682011949837 0.9208945170864273 0.8082791559986439 0.014279750045321284 ] } "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 ] } }