{ "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" 2.855324894189835 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.855324894189835e-10 } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "minimum-atom-separation" { "source-value" [ 2.47005797916779 2.3169482556872 2.30386319770751 2.32004318046638 2.29740014410834 2.28799806999132 2.26269634931364 2.26874472114453 2.24392984548428 2.23951109472409 2.23131947832898 2.34845027811537 2.23712889424571 2.23956892316223 2.23919996776067 2.24017830364574 2.25661761519466 2.25068795744122 2.25778202184179 2.2604073981719 2.26244838044646 2.2701315159264 2.41182585782106 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.4700579791677904e-10 2.3169482556872e-10 2.3038631977075102e-10 2.3200431804663802e-10 2.29740014410834e-10 2.28799806999132e-10 2.26269634931364e-10 2.2687447211445304e-10 2.2439298454842801e-10 2.2395110947240903e-10 2.23131947832898e-10 2.34845027811537e-10 2.2371288942457103e-10 2.2395689231622302e-10 2.2391999677606701e-10 2.24017830364574e-10 2.2566176151946601e-10 2.2506879574412202e-10 2.25778202184179e-10 2.2604073981719002e-10 2.2624483804464601e-10 2.2701315159264e-10 2.41182585782106e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.012772695698737027 0.8880874746085955 0.9227341280988781 0.9818646142488046 1.0093466100536472 1.0881937630724268 1.1171622532995205 1.0334721784761849 1.1553000868078669 1.1738597861518814 1.1830301732896493 1.1201029503341462 1.1726796995209012 1.1449637013233287 1.1616305177449608 1.1249355109343009 1.0676182165799268 1.000211221012161 0.9055081775954891 0.8301666700293693 0.769517480810919 0.7014705035827393 0.014457189996557597 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.012772695698737027 0.8880874746085955 0.9227341280988781 0.9818646142488046 1.0093466100536472 1.0881937630724268 1.1171622532995205 1.0334721784761849 1.1553000868078669 1.1738597861518814 1.1830301732896493 1.1201029503341462 1.1726796995209012 1.1449637013233287 1.1616305177449608 1.1249355109343009 1.0676182165799268 1.000211221012161 0.9055081775954891 0.8301666700293693 0.769517480810919 0.7014705035827393 0.014457189996557597 ] } "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" [ "Fe" "Fe" "Fe" "Fe" ] } "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 ] } }