{ "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" 3.613315641880036 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.613315641880036e-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" [ 2.48460741719362 2.28660382709086 2.29017555353377 2.29346248742932 2.29592770925241 2.29547429707663 2.28640163070197 2.27167233994956 2.28329841156834 2.2756513642643 2.24802700926707 2.32209282912546 2.29033371341391 2.28850051924244 2.29692702623925 2.31748456970828 2.30666352647062 2.29942663231831 2.30197976329164 2.31578203362945 2.31443740188873 2.30634748148253 2.52121300983791 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.4846074171936204e-10 2.2866038270908602e-10 2.29017555353377e-10 2.29346248742932e-10 2.29592770925241e-10 2.29547429707663e-10 2.28640163070197e-10 2.2716723399495603e-10 2.2832984115683402e-10 2.2756513642643e-10 2.2480270092670703e-10 2.32209282912546e-10 2.2903337134139103e-10 2.2885005192424403e-10 2.2969270262392502e-10 2.31748456970828e-10 2.3066635264706199e-10 2.2994266323183102e-10 2.30197976329164e-10 2.31578203362945e-10 2.3144374018887304e-10 2.30634748148253e-10 2.52121300983791e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.013667490379002665 0.8151521649838817 0.85081955229681 0.8884515524677838 0.9221144907704526 0.9435695511882083 0.9954117866199383 0.8966145155287105 0.9766853668235195 1.0433931146087891 1.000392968141926 0.9049501031943529 0.9232467979917307 0.8775330775078752 0.875628268210579 0.7994203887585469 0.771412286310687 0.7009548723479376 0.6278793687827556 0.5719118399992837 0.5270648953068173 0.47331878673635114 0.015463000206697915 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.013667490379002665 0.8151521649838817 0.85081955229681 0.8884515524677838 0.9221144907704526 0.9435695511882083 0.9954117866199383 0.8966145155287105 0.9766853668235195 1.0433931146087891 1.000392968141926 0.9049501031943529 0.9232467979917307 0.8775330775078752 0.875628268210579 0.7994203887585469 0.771412286310687 0.7009548723479376 0.6278793687827556 0.5719118399992837 0.5270648953068173 0.47331878673635114 0.015463000206697915 ] } "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" [ "Cu" "Cu" "Cu" "Cu" ] } "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 ] } }