{ "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" [ [ 2.668149 2.195644 2.177876 ] [ 2.423331 4.799117 4.063095 ] [ 0.9419081 3.216694 3.792355 ] [ 4.815194 2.852634 0.7483411 ] [ 3.230766 2.566095 4.274755 ] [ 3.707939 4.705402 1.628358 ] [ 5.171828 3.316404 3.099703 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.668149e-10 2.195644e-10 2.177876e-10 ] [ 2.423331e-10 4.799117e-10 4.063095e-10 ] [ 9.419081e-11 3.216694e-10 3.792355e-10 ] [ 4.815194e-10 2.852634e-10 7.483411e-11 ] [ 3.230766e-10 2.566095e-10 4.274755e-10 ] [ 3.707939e-10 4.705402000000001e-10 1.628358e-10 ] [ 5.171828e-10 3.316404e-10 3.099703e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.8981125 0.4233683 -4.042428 ] [ 2.4057274 2.548041 -0.9982417 ] [ -1.8100405 -2.1809228 -0.9127134 ] [ -0.2039509 -1.2912987 0.0019466 ] [ 1.3405557 -0.1676642 3.8452262 ] [ -1.6602407 0.2808272 1.9614791 ] [ 0.8260615 0.3876493 0.1447313 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.438934862203325e-09 6.783107978363021e-10 -6.476683686227352e-09 ] [ 3.854400228053571e-09 4.082411752673994e-09 -1.599359526824438e-09 ] [ -2.900004595693676e-09 -3.494223550717854e-09 -1.462328083018695e-09 ] [ -3.267653664632706e-10 -2.068888604654576e-09 3.1187970357444e-12 ] [ 2.147807019115513e-09 -2.686276635983028e-10 6.16073157008461e-09 ] [ -2.659998856355803e-09 4.499347780316447e-10 3.142635982099349e-09 ] [ 1.323496433546991e-09 6.210826506464561e-10 2.318851070684442e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -19.958225 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.197660175111465e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5390897 2.4498707 1.9651878 ] [ 2.568077 4.814917 3.8856161 ] [ 0.9885809 3.0256915 3.7599623 ] [ 4.7307979 2.6780958 0.9158292 ] [ 3.3241687 2.5186023 4.3887732 ] [ 3.6340381 4.7388042 1.7271266 ] [ 5.1743627 3.4260087 3.141988 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5390897e-10 2.4498707e-10 1.9651878e-10 ] [ 2.568077e-10 4.814917000000001e-10 3.8856161e-10 ] [ 9.885809e-11 3.0256915e-10 3.759962300000001e-10 ] [ 4.7307979e-10 2.6780958e-10 9.158292e-11 ] [ 3.3241687e-10 2.5186023e-10 4.3887732e-10 ] [ 3.6340381e-10 4.7388042e-10 1.7271266e-10 ] [ 5.1743627e-10 3.4260087e-10 3.141988e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.66e-05 -9e-05 -7.8e-06 ] [ 4.05e-05 7.6e-05 8.12e-05 ] [ -4.43e-05 2e-05 -6.78e-05 ] [ -1e-07 2.73e-05 -1.76e-05 ] [ 2.8e-06 -2.09e-05 4.89e-05 ] [ -1.33e-05 -2.98e-05 1.04e-05 ] [ -1.22e-05 1.75e-05 -4.73e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.26178984644e-14 -1.4419589706e-13 -1.24969777452e-14 ] [ 6.4888153677e-14 1.21765424184e-13 1.300967426808e-13 ] [ -7.09764248862e-14 3.204353268e-14 -1.086275757852e-13 ] [ -1.602176634e-16 4.37394221082e-14 -2.81983087584e-14 ] [ 4.486094575199999e-15 -3.34854916506e-14 7.834643740259999e-14 ] [ -2.13089492322e-14 -4.77448636932e-14 1.66626369936e-14 ] [ -1.95465549348e-14 2.8038091095e-14 -7.578295478819998e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.557606 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.45390926181782e-18 } }