{ "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" [ [ 1.601927 2.20995 2.424099 ] [ 1.129906 4.274554 2.615066 ] [ 2.801527 4.173724 0.979437 ] [ 2.35061 3.246819 4.113867 ] [ 5.119967 2.708037 1.074647 ] [ 4.165482 2.492594 3.422722 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.601927e-10 2.20995e-10 2.424099e-10 ] [ 1.129906e-10 4.274554e-10 2.615066e-10 ] [ 2.801527e-10 4.173724e-10 9.79437e-11 ] [ 2.35061e-10 3.246819e-10 4.113867e-10 ] [ 5.119967e-10 2.708037e-10 1.074647e-10 ] [ 4.165482e-10 2.492594e-10 3.422722e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.1052465 -4.4535346 -4.1009419 ] [ -2.5714798 5.0846159 -1.0582406 ] [ 2.0324611 -3.632349 2.5492768 ] [ -1.2163616 3.033189 5.7841167 ] [ -2.8758072 1.331488 1.2255204 ] [ 2.525941 -1.3634093 -4.3997314 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.372976723321027e-09 -7.13534901604388e-09 -6.570433235439131e-09 ] [ -4.11996481641946e-09 8.146452720727951e-09 -1.695488348501364e-09 ] [ 3.256361657105451e-09 -5.81966464638626e-09 4.084391688907838e-09 ] [ -1.948826117958881e-09 4.859704502267732e-09 9.267176548718848e-09 ] [ -4.60755106176831e-09 2.13327894447575e-09 1.963500133193464e-09 ] [ 4.047003615720173e-09 -2.184422505041293e-09 -7.049146786879654e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -15.782864 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.528693571006597e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1756736 2.1197894 2.1194759 ] [ 0.8994713 4.1680164 2.2213458 ] [ 3.3010022 4.345144 2.0326696 ] [ 2.2804662 3.5433336 4.1096563 ] [ 4.2141635 2.4388686 0.8636666 ] [ 4.2986423 2.490526 3.2830239 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1756736e-10 2.1197894e-10 2.1194759e-10 ] [ 8.994713e-11 4.1680164e-10 2.2213458e-10 ] [ 3.3010022e-10 4.345144e-10 2.0326696e-10 ] [ 2.2804662e-10 3.5433336e-10 4.109656300000001e-10 ] [ 4.2141635e-10 2.4388686e-10 8.636665999999999e-11 ] [ 4.2986423e-10 2.490526e-10 3.2830239e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.84e-05 8.2e-06 8.7e-06 ] [ 3.75e-05 6.2e-06 -1.7e-06 ] [ -2.14e-05 -3.38e-05 -1.58e-05 ] [ 1.6e-06 -1.07e-05 4e-06 ] [ -1.56e-05 2.05e-05 2.45e-05 ] [ -3.06e-05 9.7e-06 -1.97e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.550181603071999e-14 1.313784829056e-14 1.393893660096e-14 ] [ 6.008162327999999e-14 9.93349504896e-15 -2.72370025536e-15 ] [ -3.428657968511999e-14 -5.415356978304e-14 -2.531439060864e-14 ] [ 2.56348259328e-15 -1.714328984256e-14 6.4087064832e-15 ] [ -2.499395528448e-14 3.28446207264e-14 3.92533272096e-14 ] [ -4.902660459647999e-14 1.554111322176e-14 -3.156287942976e-14 ] ] } "relaxed-potential-energy" { "source-value" -23.902638 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.829624777904567e-18 } }