{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.6977917 0.2559248 0.8783031 ] [ 0.349385 0.3940236 2.698898 ] [ 1.248694 1.36901 2.090768 ] [ 0.3246804 2.316928 0.2892628 ] [ 2.775341 0.8800459 0.0497676 ] [ 2.033969 2.77175 0.0650166 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.977917e-11 2.559248e-11 8.783031e-11 ] [ 3.49385e-11 3.940236e-11 2.698898e-10 ] [ 1.248694e-10 1.36901e-10 2.090768e-10 ] [ 3.246804e-11 2.316928e-10 2.892628e-11 ] [ 2.775341e-10 8.800459e-11 4.976760000000001e-12 ] [ 2.033969e-10 2.77175e-10 6.50166e-12 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 7.8483661 -25.3796645 -97.0755158 ] [ -103.9884493 -89.8442175 134.7360736 ] [ 94.2030091 109.8210117 -27.2983299 ] [ -39.8017637 -8.053052 4.9264898 ] [ 5.6585011 -13.5155023 -1.9448354 ] [ 36.0803366 26.9714246 -13.3438822 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.257446867689928e-08 -4.066270510564772e-08 -1.55532121866861e-07 ] [ -1.666078623017061e-07 -1.439463047925702e-07 2.158709871003081e-07 ] [ 1.509298587890296e-07 1.759526574183433e-07 -4.37367459526656e-08 ] [ -6.376945526674611e-08 -1.290241164048668e-08 7.893106780169668e-09 ] [ 9.065918171191083e-09 -2.165422180342863e-08 -3.115969809184217e-09 ] [ 5.780707177111456e-08 4.321298592378999e-08 -2.137925609154927e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 64.498944 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.033387001430884e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.4936699 0.1013849 0.4054582 ] [ 0.7205905 -0.1741498 2.8716367 ] [ 0.519617 2.4345916 3.0756901 ] [ 0.3079432 2.5122732 0.5940323 ] [ 2.7945054 0.252415 -0.5394281 ] [ 2.5935352 2.8611674 -0.3353731 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.936699e-11 1.013849e-11 4.054582e-11 ] [ 7.205905e-11 -1.741498e-11 2.8716367e-10 ] [ 5.19617e-11 2.4345916e-10 3.0756901e-10 ] [ 3.079432e-11 2.5122732e-10 5.940323e-11 ] [ 2.7945054e-10 2.52415e-11 -5.394281e-11 ] [ 2.5935352e-10 2.8611674e-10 -3.353731e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.76e-05 -4.6e-05 -1.96e-05 ] [ 2.4e-06 -2.22e-05 5.2e-06 ] [ -1.4e-06 1.95e-05 -2.13e-05 ] [ 2.2e-06 5.03e-05 2.07e-05 ] [ -2.66e-05 1.58e-05 1.34e-05 ] [ -4.2e-06 -1.74e-05 1.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.422007473408001e-14 -7.37001245568e-14 -3.140266176767999e-14 ] [ 3.84522388992e-15 -3.556832098176e-14 8.33131842816e-15 ] [ -2.24304726912e-15 3.12424441056e-14 -3.412636202304e-14 ] [ 3.52478856576e-15 8.058948402624e-14 3.316505605055999e-14 ] [ -4.261789811328e-14 2.531439060864e-14 2.146916671872e-14 ] [ -6.72914180736e-15 -2.787787320192e-14 2.4032649312e-15 ] ] } "relaxed-potential-energy" { "source-value" -17.238735 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.761949818916669e-18 } }