{ "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" 4.045270472764969 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.045270472764969e-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" [ 2.79860055716793 2.5531808567841 2.54643003297696 2.53844838863714 2.45639898433267 2.59938711534917 2.48673890009762 2.58833129525868 2.48520992941294 2.5363579886298 2.52745091970594 2.53617173912283 2.51580945299281 2.45956605776942 2.47475325715618 2.53132345851699 2.53703981237314 2.50299657207594 2.52103385471207 2.54122280185823 2.54139783805778 2.54340978705732 2.82421092646494 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.79860055716793e-10 2.5531808567841e-10 2.5464300329769596e-10 2.53844838863714e-10 2.4563989843326704e-10 2.59938711534917e-10 2.48673890009762e-10 2.58833129525868e-10 2.4852099294129404e-10 2.5363579886298e-10 2.52745091970594e-10 2.53617173912283e-10 2.51580945299281e-10 2.45956605776942e-10 2.47475325715618e-10 2.53132345851699e-10 2.53703981237314e-10 2.50299657207594e-10 2.52103385471207e-10 2.54122280185823e-10 2.54139783805778e-10 2.54340978705732e-10 2.8242109264649405e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.010504968033714264 0.47201057371217764 0.489902793626224 0.5105402400361724 0.5222730781346919 0.5235988525664498 0.5507330914061828 0.5008385815546353 0.5589237379857839 0.5671427162882761 0.5768891968232601 0.5358512029195965 0.5301784918039726 0.4993104184175189 0.5045886514584412 0.4644314651830609 0.4547002853768596 0.4152997035469828 0.3797756716185816 0.35110792159425847 0.32758615799563856 0.29538647835632553 0.011885014641187555 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.010504968033714264 0.47201057371217764 0.489902793626224 0.5105402400361724 0.5222730781346919 0.5235988525664498 0.5507330914061828 0.5008385815546353 0.5589237379857839 0.5671427162882761 0.5768891968232601 0.5358512029195965 0.5301784918039726 0.4993104184175189 0.5045886514584412 0.4644314651830609 0.4547002853768596 0.4152997035469828 0.3797756716185816 0.35110792159425847 0.32758615799563856 0.29538647835632553 0.011885014641187555 ] } "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" [ "Al" "Al" "Al" "Al" ] } "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 ] } }