{ "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" [ [ 1.62041 2.509202 2.566624 ] [ 2.85955 3.94705 0.1409863 ] [ 3.121365 1.927989 0.779992 ] [ 4.065015 5.453159 1.199522 ] [ 3.840762 3.584521 2.337034 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.62041e-10 2.509202e-10 2.566624e-10 ] [ 2.85955e-10 3.94705e-10 1.409863e-11 ] [ 3.121365e-10 1.927989e-10 7.79992e-11 ] [ 4.065015e-10 5.453159000000001e-10 1.199522e-10 ] [ 3.840762e-10 3.584521e-10 2.337034e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.232632 -0.1457539 0.3142179 ] [ -2.347735 1.5549866 -4.6028911 ] [ -0.1837702 -3.320588 -0.4213854 ] [ 1.1168977 2.6927434 -0.017389 ] [ 1.6472395 -0.7813881 4.7274477 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.727175516499456e-10 -2.335234909704211e-10 5.034325732168724e-10 ] [ -3.761486128833888e-09 2.491363176177282e-09 -7.374644508508395e-09 ] [ -2.944323180397401e-10 -5.320168460909031e-09 -6.751338362264564e-10 ] [ 1.789467382765292e-09 4.314250521293503e-09 -2.78602492590912e-11 ] [ 2.639168615758282e-09 -1.251921745591333e-09 7.574206180994733e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.8714769 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.100931963954726e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.7805813 2.4857671 2.7969768 ] [ 2.9865638 4.0395242 -0.4423447 ] [ 2.9698038 2.1306718 0.7642833 ] [ 3.8409245 5.2620143 1.2452691 ] [ 3.9292286 3.5039436 2.6599738 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7805813e-10 2.4857671e-10 2.7969768e-10 ] [ 2.9865638e-10 4.0395242e-10 -4.423447e-11 ] [ 2.9698038e-10 2.1306718e-10 7.642833000000001e-11 ] [ 3.8409245e-10 5.2620143e-10 1.2452691e-10 ] [ 3.9292286e-10 3.5039436e-10 2.6599738e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.66e-05 -5.8e-06 6.3e-06 ] [ 7.6e-06 1.72e-05 -4.5e-06 ] [ 2e-06 -1.39e-05 1.41e-05 ] [ -5.8e-06 1.59e-05 -1.25e-05 ] [ 1.27e-05 -1.33e-05 -3.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.659613190528e-14 -9.292624400640001e-15 1.009371271104e-14 ] [ 1.217654231808e-14 2.755743787776e-14 -7.2097947936e-15 ] [ 3.2043532416e-15 -2.227025502912e-14 2.259069035328e-14 ] [ -9.292624400640001e-15 2.547460827072e-14 -2.002720776e-14 ] [ 2.034764308416e-14 -2.130894905664e-14 -5.28718284864e-15 ] ] } "relaxed-potential-energy" { "source-value" -8.4764858 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.358082737530319e-18 } }