{ "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" [ [ 0.0450915 0.6744384 2.108849 ] [ 0.1091138 2.224666 0.3426204 ] [ 1.10319 2.788623 2.698849 ] [ 2.780637 1.123883 1.270131 ] [ 2.821139 0.9081744 2.973557 ] [ 2.438974 2.484533 0.05951 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.50915e-12 6.744384e-11 2.108849e-10 ] [ 1.091138e-11 2.224666e-10 3.426204e-11 ] [ 1.10319e-10 2.788623e-10 2.698849e-10 ] [ 2.780637e-10 1.123883e-10 1.270131e-10 ] [ 2.821139e-10 9.081744000000001e-11 2.973557e-10 ] [ 2.438974e-10 2.484533e-10 5.951e-12 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 5.0604477 1.2938551 0.4058022 ] [ 2.1388651 0.1022672 1.676192 ] [ 2.5852059 -4.796836 -3.2717542 ] [ -2.4428967 -6.9378151 -20.5174137 ] [ -3.5469776 -1.8732091 31.4583522 ] [ -3.7946444 12.2117379 -9.7511785 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.107730995721133e-09 2.072984391922846e-09 6.501667975092058e-10 ] [ 3.426839658265054e-09 1.638501169146778e-10 2.685555634371993e-09 ] [ 4.141956452934223e-09 -7.685378493011788e-09 -5.241928088244208e-09 ] [ -3.913951979769471e-09 -1.111560515265321e-08 -3.287252054942162e-08 ] [ -5.682884585221294e-09 -3.001211825889809e-09 5.040183642373225e-08 ] [ -6.079690541929644e-09 1.956536096271729e-08 -1.562311021794761e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -11.2486 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.802224393673088e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.4687772 0.6293034 2.3003362 ] [ 0.3904194 1.9599491 0.3795677 ] [ 1.0656151 2.9392593 2.4533489 ] [ 2.2882811 0.554455 0.7513652 ] [ 2.5913372 1.2317719 2.980967 ] [ 2.4937154 2.889579 0.5879313 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.687772e-11 6.293034e-11 2.3003362e-10 ] [ 3.904194e-11 1.9599491e-10 3.795677e-11 ] [ 1.0656151e-10 2.9392593e-10 2.4533489e-10 ] [ 2.2882811e-10 5.544550000000001e-11 7.513651999999999e-11 ] [ 2.5913372e-10 1.2317719e-10 2.980967e-10 ] [ 2.4937154e-10 2.889579e-10 5.879313000000001e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.22e-05 1.67e-05 1.93e-05 ] [ 1.24e-05 -1.37e-05 -1.37e-05 ] [ -1.12e-05 -1.52e-05 6.8e-06 ] [ -1.94e-05 6e-07 -1.3e-06 ] [ -6.3e-06 -4.4e-06 -1.23e-05 ] [ 1.24e-05 1.6e-05 1.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.954655477376e-14 2.675634956736e-14 3.092200878144e-14 ] [ 1.986699009792e-14 -2.194981970496e-14 -2.194981970496e-14 ] [ -1.794437815296e-14 -2.435308463616e-14 1.089480102144e-14 ] [ -3.108222644352e-14 9.6130597248e-16 -2.08282960704e-15 ] [ -1.009371271104e-14 -7.04957713152e-15 -1.970677243584e-14 ] [ 1.986699009792e-14 2.56348259328e-14 1.76239428288e-15 ] ] } "relaxed-potential-energy" { "source-value" -26.223076 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.201399929266158e-18 } }