{ "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" 3.150138288736343 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.150138288736343e-10 } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "minimum-atom-separation" { "source-value" [ 2.68107242818583 2.53966451993817 2.58394400415598 2.50812763300811 2.55310090090583 2.55656569249035 2.52774607551936 2.52794746395012 2.52357776834298 2.48055425700832 2.49200528319738 2.42662865720199 2.43232464036436 2.4710117330965 2.44701049635174 2.46781542866864 2.47942731104022 2.48276329818073 2.46905783959855 2.48648782913057 2.46367488083411 2.4991076130159 2.69976326574478 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.6810724281858296e-10 2.5396645199381703e-10 2.58394400415598e-10 2.50812763300811e-10 2.55310090090583e-10 2.55656569249035e-10 2.5277460755193603e-10 2.52794746395012e-10 2.52357776834298e-10 2.4805542570083204e-10 2.49200528319738e-10 2.4266286572019903e-10 2.4323246403643604e-10 2.4710117330964997e-10 2.4470104963517397e-10 2.46781542866864e-10 2.47942731104022e-10 2.4827632981807303e-10 2.4690578395985504e-10 2.48648782913057e-10 2.46367488083411e-10 2.4991076130159e-10 2.69976326574478e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.017296387873980502 1.4750826759286644 1.52140200740363 1.6312036979007356 1.6313011184863242 1.8212353329195496 1.8431618347958498 1.672153042498493 1.9438847119701974 1.9771032728788167 2.0077728496005447 1.7462259450576376 1.9515420401593557 1.9186975540370161 1.9353293944497238 1.8685803505466272 1.777626243575162 1.6328459791392629 1.462649795916414 1.3319241513211253 1.2275130804427934 1.1225606056097022 0.019568629099388446 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.017296387873980502 1.4750826759286644 1.52140200740363 1.6312036979007356 1.6313011184863242 1.8212353329195496 1.8431618347958498 1.672153042498493 1.9438847119701974 1.9771032728788167 2.0077728496005447 1.7462259450576376 1.9515420401593557 1.9186975540370161 1.9353293944497238 1.8685803505466272 1.777626243575162 1.6328459791392629 1.462649795916414 1.3319241513211253 1.2275130804427934 1.1225606056097022 0.019568629099388446 ] } "short-name" { "source-value" [ "bcc" ] } "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" [ "Mo" "Mo" ] } "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 ] } }