{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.922149 2.490454 3.411092 ] [ 2.441615 3.416271 1.506229 ] [ 2.671317 4.814549 3.971801 ] [ 3.703717 1.527403 2.621349 ] [ 3.855488 2.690161 4.660198 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.922149e-10 2.490454e-10 3.411092e-10 ] [ 2.441615e-10 3.416271e-10 1.506229e-10 ] [ 2.671317e-10 4.814549e-10 3.971801e-10 ] [ 3.703717e-10 1.527403e-10 2.621349e-10 ] [ 3.855488e-10 2.690161e-10 4.660198e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.6504401 0.91326 2.4278218 ] [ -0.0428784 1.5334372 -2.5070334 ] [ 0.0 0.0 0.0 ] [ 3.9061305 -3.2228824 -2.493239 ] [ 1.7871881 0.7761852 2.5724506 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.053003100036622e-09 1.46320383276684e-09 3.889799359475821e-09 ] [ -6.869877058330558e-11 2.456837251546384e-09 -4.016710334137575e-09 ] [ 0.0 0.0 0.0 ] [ 6.258311016454737e-09 -5.16362687540984e-09 -3.994609268777526e-09 ] [ 2.863391014382855e-09 1.243585791096617e-09 4.12152024343928e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.5277315 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.85640224832577e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.7944536 2.5109005 3.4663975 ] [ 2.4358596 3.4567198 1.4426651 ] [ 2.671317 4.814549 3.971801 ] [ 3.7952895 1.451253 2.5701079 ] [ 3.8973662 2.7054158 4.7196975 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7944536e-10 2.5109005e-10 3.4663975e-10 ] [ 2.4358596e-10 3.4567198e-10 1.4426651e-10 ] [ 2.671317e-10 4.814549e-10 3.971801e-10 ] [ 3.7952895e-10 1.451253e-10 2.5701079e-10 ] [ 3.8973662e-10 2.7054158e-10 4.7196975e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.7231625 0.173485 0.2772579 ] [ -0.3199366 0.5002254 -0.6417092 ] [ 0.0 0.0 0.0 ] [ 0.7422275 -0.6399976 -0.0439323 ] [ 0.3008715 -0.0337128 0.4083836 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.158634060085025e-09 2.7795361334949e-10 4.442161289719086e-10 ] [ -5.125949448814043e-10 8.014494476133036e-10 -1.028131486062833e-09 ] [ 0.0 0.0 0.0 ] [ 1.189179557612235e-09 -1.025389200536078e-09 -7.038730453787818e-11 ] [ 4.820492871365309e-10 -5.40138604267152e-11 6.543026616288023e-10 ] ] } "relaxed-potential-energy" { "source-value" -6.6191874 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.060510738834721e-18 } }