{ "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" [ [ 1.888839 2.682802 2.483288 ] [ 4.584027 1.697115 1.780244 ] [ 5.622084 2.160801 4.094107 ] [ 3.250182 0.9950144 3.979579 ] [ 5.691266 3.575432 2.207922 ] [ 3.710937 3.502612 1.042458 ] [ 3.524601 3.924526 3.14177 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.888839e-10 2.682802e-10 2.483288e-10 ] [ 4.584027e-10 1.697115e-10 1.780244e-10 ] [ 5.622084000000001e-10 2.160801e-10 4.094107000000001e-10 ] [ 3.250182e-10 9.950144e-11 3.979579e-10 ] [ 5.691266e-10 3.575432e-10 2.207922e-10 ] [ 3.710937e-10 3.502612e-10 1.042458e-10 ] [ 3.524601e-10 3.924526e-10 3.14177e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.210453 -2.9245542 2.3677138 ] [ -0.5542234 -13.1447419 -3.8725267 ] [ 0.7840824 0.1511263 4.2462103 ] [ 0.3053243 0.5209221 -0.5381376 ] [ 11.8803683 5.5238944 1.4361176 ] [ -3.2551044 4.7996531 -13.9766138 ] [ -2.9499942 5.0737003 10.3372364 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.950242683155202e-09 -4.685652404106563e-09 3.793495726359349e-09 ] [ -8.879637814960356e-10 -2.106019833214076e-08 -6.204471793281127e-09 ] [ 1.256238500410641e-09 2.421310266428742e-10 6.803178925710131e-09 ] [ 4.891834592524061e-10 8.346092167542114e-10 -8.621914885968383e-10 ] [ 1.90344484935743e-08 8.850254536363449e-09 2.300914062396158e-09 ] [ -5.215252210910588e-09 7.689892048125664e-09 -2.239300405280195e-08 ] [ -4.726411777675522e-09 8.128964068578788e-09 1.656207862021428e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -7.536818 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.207531369431061e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1410731 2.9013153 2.7311026 ] [ 4.7249631 0.9095769 1.2672636 ] [ 5.3293437 2.2529947 4.2919166 ] [ 3.4962014 0.9752558 3.455138 ] [ 5.4636069 3.7030918 2.3675394 ] [ 3.5845047 3.0984754 0.762619 ] [ 3.532243 4.6975925 3.8537888 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1410731e-10 2.9013153e-10 2.7311026e-10 ] [ 4.724963100000001e-10 9.095769e-11 1.2672636e-10 ] [ 5.3293437e-10 2.2529947e-10 4.2919166e-10 ] [ 3.4962014e-10 9.752558e-11 3.455138e-10 ] [ 5.4636069e-10 3.7030918e-10 2.3675394e-10 ] [ 3.5845047e-10 3.0984754e-10 7.62619e-11 ] [ 3.532243e-10 4.6975925e-10 3.8537888e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.86e-05 -3.1e-06 5e-06 ] [ 2.04e-05 5.8e-06 1.54e-05 ] [ -7.55e-05 -1.7e-06 4.42e-05 ] [ 5.03e-05 1.99e-05 -3.63e-05 ] [ 3.7e-05 -3.81e-05 -4.49e-05 ] [ -6.45e-05 2.13e-05 2.12e-05 ] [ 3.8e-06 -4.2e-06 -4.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.58222517324e-14 -4.9667475654e-15 8.010883169999999e-15 ] [ 3.26844033336e-14 9.2926244772e-15 2.46735201636e-14 ] [ -1.20964335867e-13 -2.7237002778e-15 7.08162072228e-14 ] [ 8.05894846902e-14 3.18833150166e-14 -5.81590118142e-14 ] [ 5.9280535458e-14 -6.10429297554e-14 -7.193773086659999e-14 ] [ -1.03340392893e-13 3.41263623042e-14 3.39661446408e-14 ] [ 6.088271209199999e-15 -6.729141862799999e-15 -7.370012516399999e-15 ] ] } "relaxed-potential-energy" { "source-value" -18.508478 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.965385098250305e-18 } }