{ "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" 3.61472986638546 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.61472986638546e-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" [ 2.38999167549118 2.29801631238653 2.29218246103686 2.32545379296857 2.31945217594827 2.3418649819895 2.26907499662896 2.27538084656637 2.29843547624932 2.29799532944876 2.308015358721 2.34818524331819 2.23383433891434 2.32850714909176 2.30844580067882 2.33566249866856 2.26280885203771 2.29585275585297 2.25649981326193 2.29895643610373 2.28260488743212 2.27539354122125 2.53352188363965 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.38999167549118e-10 2.2980163123865302e-10 2.2921824610368602e-10 2.32545379296857e-10 2.3194521759482698e-10 2.3418649819895e-10 2.26907499662896e-10 2.2753808465663701e-10 2.29843547624932e-10 2.2979953294487602e-10 2.3080153587210002e-10 2.3481852433181903e-10 2.23383433891434e-10 2.32850714909176e-10 2.3084458006788202e-10 2.33566249866856e-10 2.26280885203771e-10 2.29585275585297e-10 2.2564998132619301e-10 2.29895643610373e-10 2.28260488743212e-10 2.27539354122125e-10 2.53352188363965e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 347.2622606875921 548.7837296248231 481.0762103751084 410.7875333311363 341.0225992700457 418.1209046812712 492.9227691049576 428.1520715204874 581.3819256019864 362.02277901132 517.1880324117742 377.88304241716196 548.4048751643077 395.0448647750401 644.038853641736 362.41781150153105 586.2598082518657 335.1903725291077 433.4545474652054 530.1943601049745 629.565250971743 357.7564736938769 375.639470692801 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 347.2622606875921 548.7837296248231 481.0762103751084 410.7875333311363 341.0225992700457 418.1209046812712 492.9227691049576 428.1520715204874 581.3819256019864 362.02277901132 517.1880324117742 377.88304241716196 548.4048751643077 395.0448647750401 644.038853641736 362.41781150153105 586.2598082518657 335.1903725291077 433.4545474652054 530.1943601049745 629.565250971743 357.7564736938769 375.639470692801 ] } "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" [ "Cu" "Cu" "Cu" "Cu" ] } "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 ] } }