{ "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" [ [ 0.1139215 0.7675217 1.173379 ] [ 0.3197986 0.4128002 2.663942 ] [ 1.547269 0.0076724 0.5415715 ] [ 1.777725 2.329132 1.457723 ] [ 2.606996 1.505358 2.342036 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.139215e-11 7.675217e-11 1.173379e-10 ] [ 3.197986e-11 4.128002e-11 2.663942e-10 ] [ 1.547269e-10 7.672400000000001e-13 5.415715e-11 ] [ 1.777725e-10 2.329132e-10 1.457723e-10 ] [ 2.606996e-10 1.505358e-10 2.342036e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.5206654 4.4572038 -3.9514513 ] [ -2.553683 -2.056364 13.0467423 ] [ 6.8036176 -7.9556809 -9.2039816 ] [ -2.8976498 11.1073298 -4.6313771 ] [ 2.1683807 -5.5524887 4.7400677 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.64072779353948e-09 7.14122772250092e-09 -6.330922891089768e-09 ] [ -4.091451199534406e-09 -3.294658324654771e-09 2.090318549066242e-08 ] [ 1.090059705558341e-08 -1.27464059405251e-08 -1.474640413779338e-08 ] [ -4.642546764825796e-09 1.779590412507514e-08 -7.420284111728504e-09 ] [ 3.474128862533939e-09 -8.896067582396184e-09 7.594425649949229e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -4.3567778 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.980327533180458e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.0210776 1.0153747 0.9419501 ] [ 0.5161032 0.5037027 2.9941046 ] [ 1.8529226 -0.0918084 0.5722196 ] [ 1.4504046 2.6015927 1.3408659 ] [ 2.5252021 0.9936227 2.3295113 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.10776e-12 1.0153747e-10 9.419501000000001e-11 ] [ 5.161032e-11 5.037027e-11 2.9941046e-10 ] [ 1.8529226e-10 -9.18084e-12 5.722196e-11 ] [ 1.4504046e-10 2.6015927e-10 1.3408659e-10 ] [ 2.5252021e-10 9.936227e-11 2.3295113e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.8e-06 4.2e-06 3.1e-06 ] [ 1.31e-05 4.25e-05 -3.2e-05 ] [ -2.7e-06 -9.1e-06 -1.23e-05 ] [ -2.95e-05 -3.63e-05 2.81e-05 ] [ 1.34e-05 -1.3e-06 1.31e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.292624400640001e-15 6.72914180736e-15 4.96674752448e-15 ] [ 2.098851373248e-14 6.8092506384e-14 -5.12696518656e-14 ] [ -4.32587687616e-15 -1.457980724928e-14 -1.970677243584e-14 ] [ -4.72642103136e-14 -5.815901133504e-14 4.502116304448e-14 ] [ 2.146916671872e-14 -2.08282960704e-15 2.098851373248e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.545338 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.009984724363383e-18 } }