{ "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" 3.633016772568226 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.633016772568226e-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" [ 2.50056480964108 2.30840789267798 2.30987050639103 2.3127149254539 2.27954963108309 2.32100303642109 2.31463986248983 2.33292234502109 2.29316070121731 2.28164448125317 2.28359000116905 2.33375491442401 2.29197576754845 2.29315918560928 2.28828211352271 2.3067202260775 2.30024848801193 2.29257851528099 2.31614215304081 2.31400654275019 2.311915786618 2.30686827759189 2.53271813701367 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.50056480964108e-10 2.30840789267798e-10 2.3098705063910302e-10 2.3127149254539e-10 2.2795496310830901e-10 2.3210030364210899e-10 2.31463986248983e-10 2.33292234502109e-10 2.2931607012173098e-10 2.2816444812531703e-10 2.2835900011690501e-10 2.3337549144240105e-10 2.29197576754845e-10 2.2931591856092803e-10 2.28828211352271e-10 2.3067202260775002e-10 2.3002484880119298e-10 2.29257851528099e-10 2.31614215304081e-10 2.3140065427501902e-10 2.311915786618e-10 2.3068682775918902e-10 2.5327181370136704e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.016346707582501254 1.3372734375640443 1.4103946868668102 1.4931361906085898 1.5821979601378537 1.6749346913486176 1.7465896577327764 1.6521768391807268 1.7823692113850826 1.7585492574894113 1.8018906988674614 1.737209000468537 1.6788563004100994 1.586924812289423 1.572131950859962 1.4631506145977615 1.3486197844868892 1.223110668525552 1.0673863083196302 0.9522890576263456 0.8651413310073629 0.7718857226710399 0.01849418844403046 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.016346707582501254 1.3372734375640443 1.4103946868668102 1.4931361906085898 1.5821979601378537 1.6749346913486176 1.7465896577327764 1.6521768391807268 1.7823692113850826 1.7585492574894113 1.8018906988674614 1.737209000468537 1.6788563004100994 1.586924812289423 1.572131950859962 1.4631506145977615 1.3486197844868892 1.223110668525552 1.0673863083196302 0.9522890576263456 0.8651413310073629 0.7718857226710399 0.01849418844403046 ] } "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 ] } }