{ "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" [ [ 0.5834212 0.4864796 1.920549 ] [ 1.105833 1.594471 0.5913636 ] [ 0.1509893 2.698828 2.704799 ] [ 2.461816 0.3168887 1.8618 ] [ 2.990224 2.253685 0.1987983 ] [ 2.155559 1.839196 2.850141 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.834212e-11 4.864796e-11 1.920549e-10 ] [ 1.105833e-10 1.594471e-10 5.913636000000001e-11 ] [ 1.509893e-11 2.698828e-10 2.704799e-10 ] [ 2.461816e-10 3.168887e-11 1.8618e-10 ] [ 2.990224e-10 2.253685e-10 1.987983e-11 ] [ 2.155559e-10 1.839196e-10 2.850141e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -27.5447615 -30.6143096 18.5741209 ] [ -21.1732161 22.5207965 -46.2704683 ] [ -9.0439143 4.6563641 3.2330056 ] [ 21.5224303 -30.8547138 -6.1836475 ] [ 16.6849575 3.7304036 -2.1077601 ] [ 19.5545042 30.561459 32.7547494 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.413157290081194e-08 -4.9049531103053e-08 2.975902225789266e-08 ] [ -3.392323182256616e-08 3.608229363409447e-08 -7.413346254372751e-08 ] [ -1.44899480519788e-08 7.460317698952433e-09 5.179845987235476e-09 ] [ 3.448273464945753e-08 -4.943470109183513e-08 -9.907295455768367e-09 ] [ 2.673224882554162e-08 5.976765434068155e-09 -3.37700395447507e-09 ] [ 3.132976946057541e-08 4.896485510733775e-08 5.247889370884283e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 16.987739 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.721735826605237e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.33004 0.5915804 1.6392085 ] [ 0.610593 1.7441256 -0.5522217 ] [ -0.0040019 2.3549358 3.367913 ] [ 2.7239264 0.5309711 2.0240179 ] [ 3.2009443 1.6786118 -0.135799 ] [ 2.5863407 2.2893236 3.7843321 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.3004e-11 5.915804e-11 1.6392085e-10 ] [ 6.10593e-11 1.7441256e-10 -5.522217e-11 ] [ -4.0019e-13 2.3549358e-10 3.367913e-10 ] [ 2.7239264e-10 5.309711e-11 2.0240179e-10 ] [ 3.2009443e-10 1.6786118e-10 -1.35799e-11 ] [ 2.5863407e-10 2.2893236e-10 3.7843321e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.44e-05 -3.52e-05 3e-05 ] [ 4.31e-05 6.4e-06 6.8e-06 ] [ -3.16e-05 2.15e-05 3.47e-05 ] [ 9.5e-06 3.4e-05 -5.16e-05 ] [ 2.05e-05 -1.99e-05 -3.07e-05 ] [ -7.1e-06 -6.7e-06 1.08e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.511487575552001e-14 -5.639661705216e-14 4.8065298624e-14 ] [ 6.905381235648e-14 1.025393037312e-14 1.089480102144e-14 ] [ -5.062878121728e-14 3.44467973472e-14 5.559552874176001e-14 ] [ 1.52206778976e-14 5.44740051072e-14 -8.267231363328e-14 ] [ 3.28446207264e-14 -3.188331475392e-14 -4.918682225856e-14 ] [ -1.137545400768e-14 -1.073458335936e-14 1.730350750464e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.238735 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.761949818916669e-18 } }