{ "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" [ [ 2.719922 0.6324479 2.001085 ] [ 1.570016 2.535953 2.950979 ] [ 1.512501 2.471908 5.050939 ] [ 3.556391 2.380181 1.668166 ] [ 3.168972 1.023761 5.396195 ] [ 4.64835 1.331065 3.67677 ] [ 3.603196 3.529371 4.833641 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.719922e-10 6.324478999999999e-11 2.001085e-10 ] [ 1.570016e-10 2.535953e-10 2.950979e-10 ] [ 1.512501e-10 2.471908e-10 5.050939e-10 ] [ 3.556391e-10 2.380181e-10 1.668166e-10 ] [ 3.168972e-10 1.023761e-10 5.396195e-10 ] [ 4.64835e-10 1.331065e-10 3.67677e-10 ] [ 3.603196e-10 3.529371e-10 4.833641e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.5104667 -8.6141369 1.379052 ] [ -1.5220832 0.8221929 -3.1372717 ] [ -1.1707121 0.4779136 3.2130715 ] [ 4.9295361 7.858992 -1.5145379 ] [ 0.8382211 -1.5417624 0.7182622 ] [ -0.4133781 0.788084 -0.288753 ] [ 0.8488829 0.2087167 -0.3698231 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.624387674836927e-09 -1.380136874955059e-08 2.209484873267482e-09 ] [ -2.438646117952451e-09 1.317298242167752e-09 -5.026463370837472e-09 ] [ -1.875687556307672e-09 7.657019966823629e-10 5.147908038258787e-09 ] [ 7.897987490809611e-09 1.259149324545423e-08 -2.426557214695529e-09 ] [ 1.342978249481259e-09 -2.470175672108498e-09 1.150782904444374e-09 ] [ -6.623047273707246e-10 1.262649760026547e-09 -4.626333057858624e-10 ] [ 1.360060336176904e-09 3.344010171105274e-10 -5.925219246517806e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -18.004354 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.884615505140696e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7475985 0.2479788 2.8070204 ] [ 1.5306653 2.1972702 2.540249 ] [ 1.9354412 2.6416287 4.8478003 ] [ 3.1100925 3.8008976 2.0473452 ] [ 2.6880705 0.4928113 5.2445082 ] [ 4.6916383 1.1482176 3.9951307 ] [ 4.0758417 3.3758827 4.0957212 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7475985e-10 2.479788e-11 2.8070204e-10 ] [ 1.5306653e-10 2.1972702e-10 2.540249e-10 ] [ 1.9354412e-10 2.6416287e-10 4.847800300000001e-10 ] [ 3.1100925e-10 3.8008976e-10 2.0473452e-10 ] [ 2.6880705e-10 4.928113e-11 5.2445082e-10 ] [ 4.691638300000001e-10 1.1482176e-10 3.9951307e-10 ] [ 4.0758417e-10 3.3758827e-10 4.0957212e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.78e-05 2.31e-05 2.5e-05 ] [ 2.44e-05 -2.44e-05 3.89e-05 ] [ -1.73e-05 -5.7e-06 -3.7e-05 ] [ -1.22e-05 -2.3e-06 -2.07e-05 ] [ 4.6e-06 1.6e-06 -3.13e-05 ] [ -8.6e-06 -5e-06 -1.19e-05 ] [ 2.7e-05 1.26e-05 3.7e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.851874385024e-14 3.701027994048e-14 4.005441552e-14 ] [ 3.909310954752e-14 -3.909310954752e-14 6.232467054911999e-14 ] [ -2.771765553984e-14 -9.13240673856e-15 -5.92805349696e-14 ] [ -1.954655477376e-14 -3.68500622784e-15 -3.316505605055999e-14 ] [ 7.370012455680001e-15 2.56348259328e-15 -5.014812823104e-14 ] [ -1.377871893888e-14 -8.010883104e-15 -1.906590178752e-14 ] [ 4.32587687616e-14 2.018742542208e-14 5.92805349696e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.541842 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.611601224216751e-18 } }