{ "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" 3.5222107768058777 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.522210776805878e-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" [ 2.47365236895434 2.2426899487636 2.16803023935527 2.21051140594831 2.32804496469237 2.3077669215534 2.17838818074742 2.28215090075173 2.21464795694792 2.23285449825795 2.2101670395024 2.27140423163342 2.18411826199169 2.22423555821503 2.18003638717554 2.2411965760542 2.19386015338355 2.21436705837136 2.20938574535616 2.20407681952513 2.21805450478279 2.23898257871143 2.47255604545148 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.47365236895434e-10 2.2426899487636e-10 2.1680302393552701e-10 2.21051140594831e-10 2.3280449646923702e-10 2.3077669215533998e-10 2.1783881807474202e-10 2.2821509007517302e-10 2.21464795694792e-10 2.2328544982579502e-10 2.2101670395023998e-10 2.27140423163342e-10 2.18411826199169e-10 2.22423555821503e-10 2.18003638717554e-10 2.2411965760542e-10 2.1938601533835498e-10 2.21436705837136e-10 2.2093857453561602e-10 2.2040768195251302e-10 2.2180545047827904e-10 2.23898257871143e-10 2.47255604545148e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.011628217026229286 1.2503448433565418 1.303994094686823 1.3637164421750754 1.42294198721953 1.471626045097443 1.521817490303205 1.4554652676247866 1.5663132428933084 1.5672779568598803 1.567804810309605 1.4113791381767824 1.391258373869851 1.3149572261206284 1.302909870044363 1.1988285391589262 1.1588683735670517 1.064826529587545 0.9624063514599648 0.8711668287375889 0.8057287794043138 0.7294814117479498 0.013151071999567653 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.011628217026229286 1.2503448433565418 1.303994094686823 1.3637164421750754 1.42294198721953 1.471626045097443 1.521817490303205 1.4554652676247866 1.5663132428933084 1.5672779568598803 1.567804810309605 1.4113791381767824 1.391258373869851 1.3149572261206284 1.302909870044363 1.1988285391589262 1.1588683735670517 1.064826529587545 0.9624063514599648 0.8711668287375889 0.8057287794043138 0.7294814117479498 0.013151071999567653 ] } "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 ] } }