{ "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" 3.678452149033547 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.678452149033547e-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" [ 2.57429644933957 2.2987803764897 2.29942664002417 2.29876901907923 2.3174883283189 2.31480185390223 2.31413372509398 2.32076937378112 2.29668646593748 2.29561015529114 2.29520205532777 2.32304405285819 2.29720363498995 2.29203425338898 2.29169380116026 2.29657138035478 2.32204546413423 2.30618261420086 2.33279475302576 2.34176679754785 2.3493387175783 2.3163168511346 2.48799823631177 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.57429644933957e-10 2.2987803764897001e-10 2.2994266400241702e-10 2.2987690190792298e-10 2.3174883283189e-10 2.31480185390223e-10 2.31413372509398e-10 2.32076937378112e-10 2.29668646593748e-10 2.29561015529114e-10 2.29520205532777e-10 2.3230440528581902e-10 2.2972036349899502e-10 2.2920342533889802e-10 2.29169380116026e-10 2.2965713803547798e-10 2.32204546413423e-10 2.3061826142008602e-10 2.33279475302576e-10 2.3417667975478506e-10 2.3493387175783e-10 2.3163168511346004e-10 2.48799823631177e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.015738346558670457 0.7178916839425025 0.784375739890442 0.8658564642474603 0.9706919541830374 1.1323033442388815 1.2221244817030026 1.2700088168279517 1.2757154900589418 1.2480887610684641 1.2310358425327812 1.1420550088356176 1.1057565397528564 1.053524469303836 1.0327041527102008 0.906974601965543 0.8386275349806084 0.6997886880818508 0.6056624530852018 0.5229854913763134 0.4691416053636488 0.37455068867909375 0.017805906526924757 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.015738346558670457 0.7178916839425025 0.784375739890442 0.8658564642474603 0.9706919541830374 1.1323033442388815 1.2221244817030026 1.2700088168279517 1.2757154900589418 1.2480887610684641 1.2310358425327812 1.1420550088356176 1.1057565397528564 1.053524469303836 1.0327041527102008 0.906974601965543 0.8386275349806084 0.6997886880818508 0.6056624530852018 0.5229854913763134 0.4691416053636488 0.37455068867909375 0.017805906526924757 ] } "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" [ "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 ] } }