{ "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" [ [ 1.635666 1.500837 2.371006 ] [ 1.689283 2.814467 0.5645773 ] [ 2.46942 4.224913 2.374581 ] [ 3.374683 1.495269 0.2101847 ] [ 3.693559 1.840027 2.268425 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.635666e-10 1.500837e-10 2.371006e-10 ] [ 1.689283e-10 2.814467e-10 5.645773e-11 ] [ 2.46942e-10 4.224913e-10 2.374581e-10 ] [ 3.374683e-10 1.495269e-10 2.101847e-11 ] [ 3.693559e-10 1.840027e-10 2.268425e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.6368019 -1.2443085 2.1793033 ] [ -2.2792201 2.0275895 -1.5240099 ] [ 0.2729229 -0.1053927 -0.0119691 ] [ 1.8693075 -1.2331276 -3.4729805 ] [ 3.7737916 0.5552392 2.8296563 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.826798978661019e-09 -1.993601987762717e-09 3.491628796892289e-09 ] [ -3.651713157877438e-09 3.248556493479561e-09 -2.441733031647746e-09 ] [ 4.372706896609363e-10 -1.688577199429882e-10 -1.917661219201728e-11 ] [ 2.994960773586096e-09 -1.975688211183214e-09 -5.564328161594294e-09 ] [ 6.046280673291425e-09 8.895912651916955e-10 4.533609168759431e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.8588942 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.419351317338072e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.3689104 1.605162 2.6187789 ] [ 1.4994266 2.7765232 0.4256437 ] [ 2.5783603 3.9850525 2.316231 ] [ 3.5780867 1.6698912 0.030233 ] [ 3.837827 1.8388842 2.3978875 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.3689104e-10 1.605162e-10 2.6187789e-10 ] [ 1.4994266e-10 2.7765232e-10 4.256437e-11 ] [ 2.5783603e-10 3.9850525e-10 2.316231e-10 ] [ 3.5780867e-10 1.6698912e-10 3.0233e-12 ] [ 3.837827e-10 1.8388842e-10 2.3978875e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.57e-05 1.45e-05 -8.9e-06 ] [ 3.9e-06 -1.5e-06 6.9e-06 ] [ -4.4e-06 -1.95e-05 -3.1e-06 ] [ -5e-06 3e-06 6.3e-06 ] [ -1.02e-05 3.5e-06 -1.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.515417294656e-14 2.32315610016e-14 -1.425937192512e-14 ] [ 6.24848882112e-15 -2.4032649312e-15 1.105501868352e-14 ] [ -7.04957713152e-15 -3.12424441056e-14 -4.96674752448e-15 ] [ -8.010883104e-15 4.8065298624e-15 1.009371271104e-14 ] [ -1.634220153216e-14 5.6076181728e-15 -1.92261194496e-15 ] ] } "relaxed-potential-energy" { "source-value" -10.393797 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.665269855474118e-18 } }