{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.596447 0.5894877 3.838334 ] [ 1.369077 2.86119 3.866131 ] [ 2.011058 5.105046 2.796353 ] [ 3.116098 2.834339 2.386368 ] [ 3.638135 2.33604 4.892399 ] [ 3.921466 4.7829 1.89112 ] [ 5.122204 3.316972 3.335617 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.596447e-10 5.894877e-11 3.838334e-10 ] [ 1.369077e-10 2.86119e-10 3.866131e-10 ] [ 2.011058e-10 5.105046e-10 2.796353e-10 ] [ 3.116098e-10 2.834339e-10 2.386368e-10 ] [ 3.638135e-10 2.33604e-10 4.892399e-10 ] [ 3.921466e-10 4.7829e-10 1.89112e-10 ] [ 5.122204e-10 3.316972e-10 3.335617e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.5242615 0.3130021 -0.97067 ] [ -0.0290036 0.6797883 0.8655576 ] [ -3.0065994 1.6386232 1.3380487 ] [ -1.2320581 -5.8675375 0.8654153 ] [ -0.2688682 1.1525923 -1.8103834 ] [ 3.5427009 1.9666911 -1.2593721 ] [ 0.4695668 0.1168405 0.9714039 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.39959525405791e-10 5.014846510129313e-10 -1.55518479332478e-09 ] [ -4.64688902218824e-11 1.089140930326582e-09 1.386776162101118e-09 ] [ -4.817103306478418e-09 2.625363802970309e-09 2.143790362294076e-09 ] [ -1.973974699550435e-09 -9.400831481618773e-09 1.3865481723661e-09 ] [ -4.307743476656388e-10 1.846656451588318e-09 -2.900553982061476e-09 ] [ 5.676032603230769e-09 3.150986526715757e-09 -2.017736552131511e-09 ] [ 7.523289550621511e-10 1.87199119004877e-10 1.556360630756472e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.865471064916392 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.381711039361214e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.9759173 0.8784597 3.8287924 ] [ 1.0360044 2.2763109 3.8479401 ] [ 2.3047182 5.1746119 3.2356179 ] [ 2.7848395 2.680919 2.1856001 ] [ 3.1518918 3.1559054 4.6982889 ] [ 4.2053588 4.6547909 2.0041518 ] [ 5.3157549 3.0049768 3.2059307 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9759173e-10 8.784597e-11 3.828792400000001e-10 ] [ 1.0360044e-10 2.2763109e-10 3.8479401e-10 ] [ 2.3047182e-10 5.1746119e-10 3.2356179e-10 ] [ 2.7848395e-10 2.680919e-10 2.1856001e-10 ] [ 3.1518918e-10 3.1559054e-10 4.698288899999999e-10 ] [ 4.2053588e-10 4.6547909e-10 2.0041518e-10 ] [ 5.3157549e-10 3.0049768e-10 3.2059307e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.84e-05 -4.4e-06 2.16e-05 ] [ 1.9e-06 -5.23e-05 -1.92e-05 ] [ 5.35e-05 4.95e-05 -4.2e-06 ] [ -3.65e-05 -2.83e-05 -5.31e-05 ] [ -3.54e-05 -2.2e-06 9.4e-05 ] [ -2.05e-05 3.15e-05 -2.26e-05 ] [ 5.54e-05 6.2e-06 -1.65e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.94800500656e-14 -7.0495771896e-15 3.46070152944e-14 ] [ 3.0441356046e-15 -8.379383795819998e-14 -3.076179137279999e-14 ] [ 8.571644991899998e-14 7.930774338299999e-14 -6.729141862799999e-15 ] [ -5.847944714099999e-14 -4.53415987422e-14 -8.507557926539999e-14 ] [ -5.671705284359999e-14 -3.5247885948e-15 1.50604603596e-13 ] [ -3.2844620997e-14 5.046856397099999e-14 -3.62091919284e-14 ] [ 8.876058552359998e-14 9.9334951308e-15 -2.6435914461e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.417793064916392 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.950855769845629e-18 } }