{ "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" [ [ 1.30949 2.712734 2.978333 ] [ 0.0672006 1.690783 1.932827 ] [ 2.539316 0.8650755 1.245634 ] [ 2.964133 0.3086468 2.850804 ] [ 2.353048 2.858216 0.4219119 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.30949e-10 2.712734e-10 2.978333e-10 ] [ 6.72006e-12 1.690783e-10 1.932827e-10 ] [ 2.539316e-10 8.650755e-11 1.245634e-10 ] [ 2.964133e-10 3.086468e-11 2.850804e-10 ] [ 2.353048e-10 2.858216e-10 4.219119e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.2380421 14.3228724 8.4150612 ] [ -8.9180853 -7.9198866 -6.5394169 ] [ -4.0925776 -0.4931476 -21.5418282 ] [ 8.357428 -10.5076982 19.8563922 ] [ 0.4151929 4.59786 -0.1902084 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.790092026528291e-09 2.29477714910435e-08 1.348241442832e-08 ] [ -1.428834788767888e-08 -1.26890572544497e-08 -1.047730095716471e-08 ] [ -6.557032203551798e-09 -7.901095618331783e-10 -3.451381379568227e-08 ] [ 1.339007586193735e-08 -1.683518853316386e-08 3.181344761837985e-08 ] [ 6.652123629826985e-10 7.366583858403239e-09 -3.047474540705256e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -0.93734631 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.501794355848121e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.5626921 3.7386028 1.9195847 ] [ 0.0592269 1.441943 2.2897163 ] [ 2.2417661 0.8445252 1.5516604 ] [ 3.6242642 -0.7308003 2.4870145 ] [ 2.7452384 3.1411845 1.1815339 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.626921000000001e-11 3.7386028e-10 1.9195847e-10 ] [ 5.92269e-12 1.441943e-10 2.2897163e-10 ] [ 2.2417661e-10 8.445252e-11 1.5516604e-10 ] [ 3.6242642e-10 -7.308003e-11 2.4870145e-10 ] [ 2.7452384e-10 3.1411845e-10 1.1815339e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.03e-05 -1.52e-05 -6.6e-06 ] [ -2.02e-05 1.59e-05 -7.3e-06 ] [ 2.64e-05 8.5e-06 2.18e-05 ] [ 6.8e-06 -2.39e-05 -5.1e-06 ] [ -4.33e-05 1.48e-05 -2.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.854595201019999e-14 -2.43530848368e-14 -1.05743657844e-14 ] [ -3.236396800679999e-14 2.54746084806e-14 -1.16958894282e-14 ] [ 4.22974631376e-14 1.3618501389e-14 3.492745062119999e-14 ] [ 1.08948011112e-14 -3.82920215526e-14 -8.1711008334e-15 ] [ -6.93742482522e-14 2.37122141832e-14 -4.3258769118e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.303473 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.811016032364988e-18 } }