{ "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" 2.653443209826946 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.653443209826946e-10 } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "minimum-atom-separation" { "source-value" [ 2.25962761896433 2.18405403999649 2.19178420167346 2.1829471120604 2.20900883299187 2.18752712986678 2.16660251177825 2.17400592485997 2.12934979197001 2.13158716299373 2.14284923306281 2.19230084825347 2.12708867299231 2.14014187964374 2.13230794905065 2.17498842754542 2.17838022606512 2.14738014873929 2.1444474331652 2.15628924291701 2.16384223486118 2.13124541024784 2.27348233297121 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.2596276189643302e-10 2.18405403999649e-10 2.1917842016734598e-10 2.1829471120604e-10 2.2090088329918702e-10 2.1875271298667803e-10 2.1666025117782501e-10 2.1740059248599702e-10 2.12934979197001e-10 2.1315871629937303e-10 2.14284923306281e-10 2.19230084825347e-10 2.1270886729923102e-10 2.14014187964374e-10 2.1323079490506502e-10 2.17498842754542e-10 2.1783802260651201e-10 2.1473801487392899e-10 2.1444474331652003e-10 2.1562892429170104e-10 2.1638422348611801e-10 2.13124541024784e-10 2.2734823329712103e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.030016301762087718 3.3934862672660633 3.490840893621629 3.6457775728061566 3.512769467513842 3.734929323994056 3.8929036423778496 3.976499887196054 4.343295484806437 4.334133814786529 4.20032202126849 3.6615041889820996 4.066882118299284 3.9534891779126617 4.029497480877873 3.8539619509032605 3.919540748345401 3.878827541697058 3.683296039633531 3.4564547178032012 3.2689015767905345 2.948213541893324 0.03395956883838237 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.030016301762087718 3.3934862672660633 3.490840893621629 3.6457775728061566 3.512769467513842 3.734929323994056 3.8929036423778496 3.976499887196054 4.343295484806437 4.334133814786529 4.20032202126849 3.6615041889820996 4.066882118299284 3.9534891779126617 4.029497480877873 3.8539619509032605 3.919540748345401 3.878827541697058 3.683296039633531 3.4564547178032012 3.2689015767905345 2.948213541893324 0.03395956883838237 ] } "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" "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 ] } }