{ "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" [ [ 0.0964554 0.9453783 1.033805 ] [ 0.3537174 0.7305408 2.827753 ] [ 0.9097692 2.353277 1.204642 ] [ 0.0320969 2.73021 2.755149 ] [ 2.067566 0.358515 1.282199 ] [ 2.580778 1.703479 2.85822 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.64554e-12 9.453783e-11 1.033805e-10 ] [ 3.537174000000001e-11 7.305408e-11 2.827753e-10 ] [ 9.097692e-11 2.353277e-10 1.204642e-10 ] [ 3.20969e-12 2.73021e-10 2.755149e-10 ] [ 2.067566e-10 3.58515e-11 1.282199e-10 ] [ 2.580778e-10 1.703479e-10 2.85822e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -9.172477 -9.5546055 -11.7485152 ] [ -5.192309 -9.3741566 13.2741509 ] [ 4.3155065 15.0525832 -10.3946794 ] [ 0.2581227 8.2150455 9.4223617 ] [ 9.1062268 -8.3866553 -4.6736875 ] [ 0.68493 4.0477886 4.1203695 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.469592832530242e-08 -1.530816567918788e-08 -1.882319653763383e-08 ] [ -8.318996156307905e-09 -1.501905466797688e-08 2.126753440817007e-08 ] [ 6.914203678175119e-09 2.411689708438095e-08 -1.665411245260114e-08 ] [ 4.135581586449917e-10 1.316195394734685e-08 1.509628775283652e-08 ] [ 1.458978380286459e-08 -1.343690315907226e-08 -7.488072907117873e-09 ] [ 1.09737884192562e-09 6.485272314291571e-09 6.601559736346262e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.7041173 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.234335672365517e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.3658635 0.9653613 0.956795 ] [ 0.5316235 0.2491317 3.2171926 ] [ 1.4818452 2.6913315 0.7700644 ] [ -0.0440761 2.6818202 2.7947467 ] [ 2.0575353 0.2586484 1.1925096 ] [ 2.3793185 1.975107 3.0304598 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.658635e-11 9.653613e-11 9.56795e-11 ] [ 5.316235000000001e-11 2.491317e-11 3.2171926e-10 ] [ 1.4818452e-10 2.6913315e-10 7.700644e-11 ] [ -4.40761e-12 2.681820200000001e-10 2.7947467e-10 ] [ 2.0575353e-10 2.586484e-11 1.1925096e-10 ] [ 2.3793185e-10 1.975107e-10 3.0304598e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8.85e-05 2.09e-05 5.08e-05 ] [ -5.07e-05 2.54e-05 -2.86e-05 ] [ -8.24e-05 2.63e-05 -3.06e-05 ] [ 1.74e-05 -4.17e-05 -3.27e-05 ] [ -2.45e-05 -6.35e-05 -4.39e-05 ] [ 5.17e-05 3.25e-05 8.5e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.41792632109e-13 3.34854916506e-14 8.13905730072e-14 ] [ -8.123035534379999e-14 4.06952865036e-14 -4.58222517324e-14 ] [ -1.320193546416e-13 4.21372454742e-14 -4.90266050004e-14 ] [ 2.78778734316e-14 -6.681076563779999e-14 -5.23911759318e-14 ] [ -3.925332753299999e-14 -1.01738216259e-13 -7.03355542326e-14 ] [ 8.28325319778e-14 5.207074060499999e-14 1.3618501389e-13 ] ] } "relaxed-potential-energy" { "source-value" -21.869792 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.503926973284012e-18 } }