{ "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" 4.989170089364052 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.989170089364052e-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" [ 3.41559380673356 3.09371335113539 3.08191031297139 3.06976346849858 3.07419508210074 3.11208443123905 3.14493838328352 3.17731434713337 3.13917809784316 3.10773035540372 3.07094619984011 3.24413131683741 3.08794236981093 3.0925541803068 3.08787592585217 3.12685196245793 3.11573298744863 3.13158580946369 3.13596093707888 3.13628889298603 3.14220468018042 3.14712551483247 3.4603029527044 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 3.4155938067335597e-10 3.09371335113539e-10 3.0819103129713897e-10 3.06976346849858e-10 3.07419508210074e-10 3.11208443123905e-10 3.14493838328352e-10 3.17731434713337e-10 3.13917809784316e-10 3.10773035540372e-10 3.07094619984011e-10 3.2441313168374103e-10 3.08794236981093e-10 3.0925541803068003e-10 3.0878759258521703e-10 3.12685196245793e-10 3.11573298744863e-10 3.1315858094636903e-10 3.13596093707888e-10 3.13628889298603e-10 3.14220468018042e-10 3.14712551483247e-10 3.4603029527044e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.004134114024166011 0.25835266146395125 0.2671302275739054 0.2761555672102358 0.28198026763285106 0.28415036345938893 0.2883982442401903 0.2702473423793702 0.2916892358208457 0.28979272824216584 0.2959027326782913 0.2656222652800346 0.274034373912842 0.2613725616136502 0.26476880603942604 0.2417894790900708 0.2420232474452631 0.22395674691616105 0.20671883173427347 0.1932742512073849 0.18276827826555225 0.16297592128310615 0.004677216089176087 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.004134114024166011 0.25835266146395125 0.2671302275739054 0.2761555672102358 0.28198026763285106 0.28415036345938893 0.2883982442401903 0.2702473423793702 0.2916892358208457 0.28979272824216584 0.2959027326782913 0.2656222652800346 0.274034373912842 0.2613725616136502 0.26476880603942604 0.2417894790900708 0.2420232474452631 0.22395674691616105 0.20671883173427347 0.1932742512073849 0.18276827826555225 0.16297592128310615 0.004677216089176087 ] } "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" [ "Pb" "Pb" "Pb" "Pb" ] } "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 ] } }