{ "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" [ [ 2.007741 0.810981 1.851579 ] [ 2.28758 2.972606 1.775704 ] [ 2.775609 2.277586 3.884458 ] [ 3.461309 1.568578 0.4572952 ] [ 4.556331 2.173826 2.191246 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.007741e-10 8.10981e-11 1.851579e-10 ] [ 2.28758e-10 2.972606e-10 1.775704e-10 ] [ 2.775609000000001e-10 2.277586e-10 3.884458e-10 ] [ 3.461309e-10 1.568578e-10 4.572952e-11 ] [ 4.556331e-10 2.173826e-10 2.191246e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -24.2866704 -26.6143643 -1.7184718 ] [ -18.5332599 25.5690668 -2.7088833 ] [ -0.470653 2.3615628 18.0880658 ] [ 8.532176 -6.8200297 -20.1309149 ] [ 34.7584072 5.5037644 6.4702042 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.891153551195538e-08 -4.264091225891416e-08 -2.753295341464094e-09 ] [ -2.969355571899015e-08 4.096616104263348e-08 -4.340109491735553e-09 ] [ -7.540692331093824e-10 3.783640706710986e-09 2.898027614025205e-08 ] [ 1.367005291175086e-08 -1.092689213850164e-08 -3.225328120809437e-08 ] [ 5.568910739208639e-08 8.818002648071339e-09 1.036640990104197e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 14.596122 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.338556542274454e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9750052 0.4790432 1.6057231 ] [ 1.4570461 4.1978741 2.6988953 ] [ 2.6421279 2.2228206 3.173415 ] [ 4.1734782 0.580349 0.5570118 ] [ 4.8409127 2.3234901 2.125237 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9750052e-10 4.790432e-11 1.6057231e-10 ] [ 1.4570461e-10 4.1978741e-10 2.6988953e-10 ] [ 2.6421279e-10 2.2228206e-10 3.173415e-10 ] [ 4.1734782e-10 5.80349e-11 5.570118e-11 ] [ 4.8409127e-10 2.3234901e-10 2.125237e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1e-07 1.05e-05 -3.9e-06 ] [ -3.6e-06 -6.2e-06 -3.7e-06 ] [ 3.3e-06 -1e-07 9.3e-06 ] [ -3e-07 -3.1e-06 2.1e-06 ] [ 4e-07 -1.1e-06 -3.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.6021766208e-16 1.68228545184e-14 -6.24848882112e-15 ] [ -5.76783583488e-15 -9.93349504896e-15 -5.928053496960001e-15 ] [ 5.28718284864e-15 -1.6021766208e-16 1.490024257344e-14 ] [ -4.8065298624e-16 -4.96674752448e-15 3.36457090368e-15 ] [ 6.408706483200001e-16 -1.76239428288e-15 -6.08827115904e-15 ] ] } "relaxed-potential-energy" { "source-value" -10.419499 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.669387769824898e-18 } }