{ "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" 3.884859305620196 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.884859305620196e-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" [ 2.62243017022244 2.45890641375604 0.905169881549651 2.46792211057428 0.935584340414339 2.45131479243218 0.924281001549681 0.933563101933778 0.91954554529793 2.43976243544113 0.910744757778143 2.44501715773013 2.41150574863334 0.950590947938683 2.42265599689622 0.901375921884343 0.922136920192663 2.44173215394529 2.43599815162961 2.45140908072849 2.44628110339151 2.45306852435689 0.892419064890594 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.62243017022244e-10 2.45890641375604e-10 9.05169881549651e-11 2.4679221105742805e-10 9.35584340414339e-11 2.45131479243218e-10 9.24281001549681e-11 9.335631019337781e-11 9.1954554529793e-11 2.43976243544113e-10 9.10744757778143e-11 2.4450171577301297e-10 2.41150574863334e-10 9.50590947938683e-11 2.42265599689622e-10 9.013759218843431e-11 9.22136920192663e-11 2.44173215394529e-10 2.43599815162961e-10 2.45140908072849e-10 2.44628110339151e-10 2.4530685243568903e-10 8.92419064890594e-11 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.013059457814911916 0.6278352379799238 0.6490390109801567 0.6682207453986797 0.6776303143341593 0.6912586454798962 0.7204812647008472 0.6679775499758539 0.7384089963468395 0.7196865274622773 0.7512020854263571 0.715750810486064 0.7004126958757733 0.6604401200373672 0.6709948480885028 0.6315498561757976 0.6061058114853842 0.5578495085138171 0.5061123272704461 0.46571865208637225 0.43418421108904814 0.39338677050820553 0.014775089898859449 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.013059457814911916 0.6278352379799238 0.6490390109801567 0.6682207453986797 0.6776303143341593 0.6912586454798962 0.7204812647008472 0.6679775499758539 0.7384089963468395 0.7196865274622773 0.7512020854263571 0.715750810486064 0.7004126958757733 0.6604401200373672 0.6709948480885028 0.6315498561757976 0.6061058114853842 0.5578495085138171 0.5061123272704461 0.46571865208637225 0.43418421108904814 0.39338677050820553 0.014775089898859449 ] } "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" [ "Pd" "Pd" "Pd" "Pd" ] } "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 ] } }