{ "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" [ [ 0.7655839 2.475119 1.769415 ] [ 1.428497 2.830976 4.007072 ] [ 0.7084804 4.393179 2.503204 ] [ 3.286235 1.82381 2.638008 ] [ 3.156295 4.152222 2.34568 ] [ 4.226983 3.319682 4.150219 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.655839e-11 2.475119e-10 1.769415e-10 ] [ 1.428497e-10 2.830976e-10 4.007072e-10 ] [ 7.084804e-11 4.393179e-10 2.503204e-10 ] [ 3.286235e-10 1.82381e-10 2.638008e-10 ] [ 3.156295e-10 4.152222e-10 2.34568e-10 ] [ 4.226983e-10 3.319682e-10 4.150219e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.7067891 -7.1112529 -1.3162246 ] [ 3.3523619 -0.2422951 -0.6265307 ] [ 0.5545349 6.7663547 2.2317189 ] [ -2.4323416 0.9610312 -0.599743 ] [ -1.0054218 0.2470561 -0.9476001 ] [ -2.1759225 -0.620894 1.2583795 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.734577592656274e-09 -1.13934831409762e-08 -2.108824281841832e-09 ] [ 5.371075860640668e-09 -3.881995445543981e-10 -1.003812839753459e-09 ] [ 8.88462852197666e-10 1.08408953083802e-08 3.575607845777494e-09 ] [ -3.897040845319265e-09 1.539741720499369e-09 -9.608942130884545e-10 ] [ -1.610863302002653e-09 3.958275074460269e-10 -1.518222726087742e-09 ] [ -3.486212158172688e-09 -9.947818507949951e-10 2.016146214993994e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -22.274946 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.568839771078248e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.8815196 2.2172888 1.9139079 ] [ 1.6776746 2.9895376 3.9999308 ] [ 0.75438 4.4938217 2.4220345 ] [ 3.1484843 1.9095682 2.4261248 ] [ 3.0753268 4.2385325 2.4061834 ] [ 4.0346889 3.1462391 4.2454167 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.815196e-11 2.2172888e-10 1.9139079e-10 ] [ 1.6776746e-10 2.9895376e-10 3.9999308e-10 ] [ 7.543800000000001e-11 4.4938217e-10 2.4220345e-10 ] [ 3.1484843e-10 1.9095682e-10 2.4261248e-10 ] [ 3.0753268e-10 4.2385325e-10 2.4061834e-10 ] [ 4.0346889e-10 3.1462391e-10 4.2454167e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.96e-05 -2.03e-05 -1.57e-05 ] [ -1.57e-05 -1.51e-05 2.73e-05 ] [ 2.71e-05 -1.41e-05 6e-07 ] [ -1.51e-05 1.2e-05 -1.11e-05 ] [ 2.72e-05 2.13e-05 -8.3e-06 ] [ 6.1e-06 1.62e-05 7.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.742442797568e-14 -3.252418540224e-14 -2.515417294656e-14 ] [ -2.515417294656e-14 -2.419286697408e-14 4.373942174784e-14 ] [ 4.341898642368e-14 -2.259069035328e-14 9.6130597248e-16 ] [ -2.419286697408e-14 1.92261194496e-14 -1.778416049088e-14 ] [ 4.357920408576e-14 3.412636202304e-14 -1.329806595264e-14 ] [ 9.77327738688e-15 2.595526125696e-14 1.137545400768e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.45441 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.918028397745773e-18 } }