{ "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" 3.521391749382019 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.521391749382019e-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" [ 2.44933265137814 2.23439565403531 2.2324130773316 2.23661217291648 2.22949086060084 2.30994838288921 2.2357433979525 2.29566450431689 2.22116288002892 2.18366138374025 2.19473342119664 2.26644978591821 2.22414325190306 2.22224540930921 2.23111910355661 2.25266356977693 2.24647383780853 2.23036498029744 2.23550989875031 2.24764259197638 2.24336592584653 2.24924277598328 2.45865481205926 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.44933265137814e-10 2.2343956540353102e-10 2.2324130773316001e-10 2.23661217291648e-10 2.2294908606008401e-10 2.3099483828892101e-10 2.2357433979525e-10 2.29566450431689e-10 2.22116288002892e-10 2.1836613837402501e-10 2.19473342119664e-10 2.26644978591821e-10 2.22414325190306e-10 2.2222454093092102e-10 2.23111910355661e-10 2.2526635697769303e-10 2.24647383780853e-10 2.23036498029744e-10 2.23550989875031e-10 2.24764259197638e-10 2.24336592584653e-10 2.24924277598328e-10 2.45865481205926e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.01808958665091949 1.3106876987229816 1.3667341686896741 1.4215397377043595 1.4680102066166816 1.4939761120811128 1.5631373786960578 1.428948940793682 1.6008340019114018 1.6058319178721905 1.5770304833704851 1.4117821281919485 1.4576046276995662 1.3961308254660494 1.392568820447737 1.2768815357780854 1.2401022267675412 1.1337660866938422 1.0180132574130507 0.9276802221277999 0.8535119144106844 0.7744691917856358 0.020466031021890648 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01808958665091949 1.3106876987229816 1.3667341686896741 1.4215397377043595 1.4680102066166816 1.4939761120811128 1.5631373786960578 1.428948940793682 1.6008340019114018 1.6058319178721905 1.5770304833704851 1.4117821281919485 1.4576046276995662 1.3961308254660494 1.392568820447737 1.2768815357780854 1.2401022267675412 1.1337660866938422 1.0180132574130507 0.9276802221277999 0.8535119144106844 0.7744691917856358 0.020466031021890648 ] } "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" [ "Ni" "Ni" "Ni" "Ni" ] } "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 ] } }