{ "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" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.682391 2.686577 1.562325 ] [ 1.212844 1.781832 3.455784 ] [ 1.883235 4.08794 3.099932 ] [ 4.668223 1.307552 1.415877 ] [ 3.293332 1.297731 3.803317 ] [ 4.485506 3.146522 2.925064 ] [ 3.343094 3.696236 5.003524 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.682391e-10 2.686577e-10 1.562325e-10 ] [ 1.212844e-10 1.781832e-10 3.455784e-10 ] [ 1.883235e-10 4.08794e-10 3.099932e-10 ] [ 4.668223000000001e-10 1.307552e-10 1.415877e-10 ] [ 3.293332e-10 1.297731e-10 3.803317e-10 ] [ 4.485506e-10 3.146522e-10 2.925064e-10 ] [ 3.343094e-10 3.696236e-10 5.003524e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.2304194 -11.050473 -25.9522217 ] [ -38.66027 5.926703 -4.5958881 ] [ -10.7910985 17.3385485 14.2346667 ] [ 6.8386964 -11.2629186 -6.4510559 ] [ 34.1251977 -13.0398118 11.1189969 ] [ 15.2728023 12.6105906 6.5889181 ] [ -0.5549086 -0.5226387 5.0565841 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.982232300458762e-09 -1.770480948938164e-08 -4.158004286555843e-08 ] [ -6.194058074781561e-08 9.495624985025223e-09 -7.363424465632933e-09 ] [ -1.728924572944995e-08 2.777941704530691e-08 2.280645019162029e-08 ] [ 1.095679948882913e-08 -1.804518486289347e-08 -1.03357309424539e-08 ] [ 5.467459393511793e-08 -2.089208160559197e-08 1.781459687992767e-08 ] [ 2.446972677916047e-08 2.020439343380025e-08 1.055661053618596e-08 ] [ -8.890615856008589e-10 -8.37359506265305e-10 8.101540826129009e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.019385 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.765500102259421e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6789542 3.0041937 1.3722184 ] [ 1.1759484 1.5752521 3.0604309 ] [ 1.4399671 4.1590013 3.4155208 ] [ 4.3673035 0.955702 1.6094555 ] [ 3.5230844 1.2568023 4.0813738 ] [ 4.9210101 3.3109054 2.7965924 ] [ 3.4623572 3.7425332 4.9302312 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6789542e-10 3.0041937e-10 1.3722184e-10 ] [ 1.1759484e-10 1.5752521e-10 3.0604309e-10 ] [ 1.4399671e-10 4.1590013e-10 3.4155208e-10 ] [ 4.367303500000001e-10 9.557020000000001e-11 1.6094555e-10 ] [ 3.5230844e-10 1.2568023e-10 4.0813738e-10 ] [ 4.9210101e-10 3.3109054e-10 2.7965924e-10 ] [ 3.4623572e-10 3.7425332e-10 4.9302312e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.6e-05 2.46e-05 -1.47e-05 ] [ 4.57e-05 1.2e-06 8.84e-05 ] [ 2.11e-05 5.81e-05 -7.36e-05 ] [ 4.1e-05 -2.42e-05 -7.04e-05 ] [ -1.88e-05 -5.93e-05 3.35e-05 ] [ -4.5e-06 3.46e-05 5.13e-05 ] [ -2.84e-05 -3.49e-05 -1.45e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.97218907648e-14 3.941354487168e-14 -2.355199632576e-14 ] [ 7.321947157056e-14 1.92261194496e-15 1.4163241327872e-13 ] [ 3.380592669888e-14 9.308646166848001e-14 -1.1792019929088e-13 ] [ 6.56892414528e-14 -3.877267422336e-14 -1.1279323410432e-13 ] [ -3.012092047104e-14 -9.500907361344e-14 5.36729167968e-14 ] [ -7.2097947936e-15 5.543531107968001e-14 8.219166064704e-14 ] [ -4.550181603071999e-14 -5.591596406592e-14 -2.32315610016e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.607675 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.942584157724464e-18 } }