{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.596447 0.5894877 3.838334 ] [ 1.369077 2.86119 3.866131 ] [ 2.011058 5.105046 2.796353 ] [ 3.116098 2.834339 2.386368 ] [ 3.638135 2.33604 4.892399 ] [ 3.921466 4.7829 1.89112 ] [ 5.122204 3.316972 3.335617 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.596447e-10 5.894877e-11 3.838334e-10 ] [ 1.369077e-10 2.86119e-10 3.866131e-10 ] [ 2.011058e-10 5.105046e-10 2.796353e-10 ] [ 3.116098e-10 2.834339e-10 2.386368e-10 ] [ 3.638135e-10 2.33604e-10 4.892399e-10 ] [ 3.921466e-10 4.7829e-10 1.89112e-10 ] [ 5.122204e-10 3.316972e-10 3.335617e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.2282662 7.7720416 -0.5292203 ] [ 8.3090184 -0.5021959 -1.8352859 ] [ -3.735042 -6.148137 3.59243 ] [ -2.7812842 -2.3223737 8.4766075 ] [ -2.9996705 1.5288806 -8.6197663 ] [ 7.7258274 -0.6245013 -0.4262528 ] [ -6.7471153 0.2962857 -0.6585123 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.65722768958857e-10 1.245218334740503e-08 -8.479043919127623e-10 ] [ 1.331251502227702e-08 -8.046065300416148e-10 -2.940452161463887e-09 ] [ -5.984196970106073e-09 -9.85040136287545e-09 5.755707357860544e-09 ] [ -4.456108521040432e-09 -3.720852846900793e-09 1.358102236019794e-08 ] [ -4.806001945203447e-09 2.449536753314676e-09 -1.381038804261972e-08 ] [ 1.237814003661605e-08 -1.000561382519207e-09 -6.829322707105382e-10 ] [ -1.081007039150198e-08 4.747020216173625e-10 -1.055053011569236e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.629574 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.548269385106354e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.511053 0.9111603 3.6808637 ] [ 1.3527823 2.8035494 3.666857 ] [ 2.7475701 4.5093631 3.5313228 ] [ 3.1843213 2.6111685 2.4462618 ] [ 3.3310759 2.7078967 4.668946 ] [ 3.8232514 4.5471985 1.6029925 ] [ 4.824431 3.7356381 3.4090781 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.511053e-10 9.111603000000001e-11 3.6808637e-10 ] [ 1.3527823e-10 2.8035494e-10 3.666857e-10 ] [ 2.7475701e-10 4.5093631e-10 3.5313228e-10 ] [ 3.1843213e-10 2.6111685e-10 2.4462618e-10 ] [ 3.3310759e-10 2.7078967e-10 4.668946e-10 ] [ 3.8232514e-10 4.547198500000001e-10 1.6029925e-10 ] [ 4.824431e-10 3.7356381e-10 3.4090781e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.22e-05 0.0001369 0.0001193 ] [ 8.41e-05 -0.0001453 5.79e-05 ] [ -0.0001253 -0.0001104 3.84e-05 ] [ -1.56e-05 0.0001037 0.0001556 ] [ -4.96e-05 9.1e-06 -0.0002252 ] [ 0.0002143 0.0001318 -4.39e-05 ] [ -9.58e-05 -0.0001257 -0.000102 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.954655477376e-14 2.1933797938752e-13 1.9113967086144e-13 ] [ 1.3474305380928e-13 -2.3279626300224e-13 9.276602634432e-14 ] [ -2.0075273058624e-13 -1.7688029893632e-13 6.152358223872e-14 ] [ -2.499395528448e-14 1.6614571557696e-13 2.4929868219648e-13 ] [ -7.946796039168e-14 1.457980724928e-14 -3.6081017500416e-13 ] [ 3.4334644983744e-13 2.1116687862144e-13 -7.033555365312e-14 ] [ -1.5348852027264e-13 -2.0139360123456e-13 -1.634220153216e-13 ] ] } "relaxed-potential-energy" { "source-value" -49.241665 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.889384443226563e-18 } }