{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.8495841 0.5267621 0.8966685 ] [ 0.1884113 0.623136 2.979456 ] [ 1.483282 2.75051 2.967402 ] [ 1.97645 1.30316 2.052926 ] [ 2.403862 2.938822 1.215589 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.495841e-11 5.267621e-11 8.966685e-11 ] [ 1.884113e-11 6.23136e-11 2.979456e-10 ] [ 1.483282e-10 2.75051e-10 2.967402e-10 ] [ 1.97645e-10 1.30316e-10 2.052926e-10 ] [ 2.403862e-10 2.938822e-10 1.215589e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -16.603985 -17.0669951 -19.6347014 ] [ -7.9650548 -2.5812767 7.8758145 ] [ -11.3812146 19.2809652 22.4802883 ] [ 22.5566246 -21.6341706 5.0972112 ] [ 13.3936298 22.0014773 -15.8186126 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.660251657911389e-08 -2.734434053652816e-08 -3.145825953946903e-08 ] [ -1.276142458395082e-08 -4.135661180555776e-09 1.261844586165764e-08 ] [ -1.823471594842762e-08 3.08915116698984e-08 3.601739234310378e-08 ] [ 3.613969657828215e-08 -3.466176234571871e-08 8.166632615919913e-09 ] [ 2.145896053321018e-08 3.525025255312191e-08 -2.53442112812123e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 8.7471984 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.401455677397917e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.4496667 -0.4112869 0.8593945 ] [ 0.0097518 0.8577188 2.9569778 ] [ 1.2989259 2.962771 3.270996 ] [ 2.2540049 1.1607551 1.5710955 ] [ 2.8892401 3.5724321 1.4535777 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.496667e-11 -4.112869e-11 8.593945e-11 ] [ 9.7518e-13 8.577188e-11 2.9569778e-10 ] [ 1.2989259e-10 2.962771e-10 3.270996e-10 ] [ 2.2540049e-10 1.1607551e-10 1.5710955e-10 ] [ 2.8892401e-10 3.5724321e-10 1.4535777e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.11e-05 -3.95e-05 -2.27e-05 ] [ 1.71e-05 1.59e-05 1.21e-05 ] [ -6e-07 1.55e-05 -1.42e-05 ] [ 2.8e-05 2.46e-05 -5e-06 ] [ -1.34e-05 -1.66e-05 2.98e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.982769290688e-14 -6.32859765216e-14 -3.636940929216e-14 ] [ 2.739722021568e-14 2.547460827072e-14 1.938633711168e-14 ] [ -9.6130597248e-16 2.48337376224e-14 -2.275090801536e-14 ] [ 4.48609453824e-14 3.941354487168e-14 -8.010883104e-15 ] [ -2.146916671872e-14 -2.659613190528e-14 4.774486329984001e-14 ] ] } "relaxed-potential-energy" { "source-value" -10.346148 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.657635644093668e-18 } }