{ "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" 3.522514119744301 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.522514119744301e-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" [ 2.38396535037097 2.19587524314429 2.18327210783145 2.17044693419194 2.16770802212938 2.22047068177537 2.18352862339285 2.20480151442069 2.20975071568014 2.20452382366438 2.20847687605282 2.22441403041191 2.197527907152 2.21470379470586 2.21764349937492 2.21870193423637 2.22683932348422 2.23812303508515 2.21352128912554 2.21787330621573 2.26943597312465 2.25729192262227 2.4361841205428 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.38396535037097e-10 2.19587524314429e-10 2.1832721078314502e-10 2.1704469341919399e-10 2.16770802212938e-10 2.22047068177537e-10 2.1835286233928502e-10 2.2048015144206899e-10 2.2097507156801402e-10 2.2045238236643798e-10 2.2084768760528203e-10 2.2244140304119103e-10 2.1975279071520001e-10 2.21470379470586e-10 2.2176434993749199e-10 2.21870193423637e-10 2.22683932348422e-10 2.2381230350851504e-10 2.21352128912554e-10 2.2178733062157302e-10 2.26943597312465e-10 2.25729192262227e-10 2.4361841205428003e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.017402133963045515 -2.562562670868949 -1.8319153089297595 -0.9012580729609238 0.2874888121807493 1.1415818330568963 1.1677274787929566 1.1373228224585528 1.1814610655206683 1.1352905442135617 1.1499877613457854 1.0481291375671762 1.0431237455560363 0.9545350112875309 0.9715015440251893 0.8285142573948239 0.8488042112985348 0.6760871045694213 0.6259691659609595 0.5569284155625817 0.49701918562299163 0.41726339507231763 0.019688267097682687 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.017402133963045515 -2.562562670868949 -1.8319153089297595 -0.9012580729609238 0.2874888121807493 1.1415818330568963 1.1677274787929566 1.1373228224585528 1.1814610655206683 1.1352905442135617 1.1499877613457854 1.0481291375671762 1.0431237455560363 0.9545350112875309 0.9715015440251893 0.8285142573948239 0.8488042112985348 0.6760871045694213 0.6259691659609595 0.5569284155625817 0.49701918562299163 0.41726339507231763 0.019688267097682687 ] } "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 ] } }