{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.8670835 0.0748596 0.0624467 ] [ 1.077368 0.92169 1.864842 ] [ 2.976718 2.979813 0.7013645 ] [ 1.541867 2.360612 1.695051 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.670835000000001e-11 7.48596e-12 6.24467e-12 ] [ 1.077368e-10 9.216900000000001e-11 1.864842e-10 ] [ 2.976718e-10 2.979813e-10 7.013645e-11 ] [ 1.541867e-10 2.360612e-10 1.695051e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.9848995 -6.7726889 -8.5365372 ] [ -15.0003185 -45.9044474 11.4829376 ] [ 11.7016233 5.2090882 -7.9176235 ] [ 5.2835948 47.4680482 4.971223 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.180159599738283e-09 -1.085104390493116e-08 -1.367704043711178e-08 ] [ -2.403315980325793e-08 -7.354703302096204e-08 1.839769431240004e-08 ] [ 1.874806743112997e-08 8.345879398485118e-09 -1.26854313685093e-08 ] [ 8.465252132083902e-09 7.605219768762575e-08 7.96477733300338e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 5.6736825 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 9.090241530234704e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.8110666 -0.1716097 -0.1309841 ] [ 0.9321203 0.6008143 1.9735167 ] [ 3.2192405 3.110921 0.5356254 ] [ 1.5006092 2.796849 1.9455462 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.110666e-11 -1.716097e-11 -1.309841e-11 ] [ 9.321203e-11 6.008143e-11 1.9735167e-10 ] [ 3.2192405e-10 3.110921e-10 5.356254000000001e-11 ] [ 1.5006092e-10 2.796849e-10 1.9455462e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5e-06 2.09e-05 1.05e-05 ] [ -1.51e-05 -3.84e-05 1.04e-05 ] [ -2.7e-06 5.8e-06 3.5e-06 ] [ 1.27e-05 1.17e-05 -2.43e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.010883169999999e-15 3.34854916506e-14 1.6822854657e-14 ] [ -2.41928671734e-14 -6.152358274559999e-14 1.66626369936e-14 ] [ -4.3258769118e-15 9.2926244772e-15 5.607618218999999e-15 ] [ 2.03476432518e-14 1.87454666178e-14 -3.893289220619999e-14 ] ] } "relaxed-potential-energy" { "source-value" -8.9692586 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.437033655322355e-18 } }