{ "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" [ [ 1.104984 0.7498219 0.2438631 ] [ 0.0561128 2.748087 0.5245136 ] [ 1.296365 1.928403 2.567713 ] [ 2.230186 0.0250453 1.984887 ] [ 2.914783 2.131976 0.9359872 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.104984e-10 7.498219000000001e-11 2.438631e-11 ] [ 5.61128e-12 2.748087e-10 5.245136000000001e-11 ] [ 1.296365e-10 1.928403e-10 2.567713e-10 ] [ 2.230186e-10 2.50453e-12 1.984887e-10 ] [ 2.914783e-10 2.131976e-10 9.359872e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.4481377 5.7605684 3.3432232 ] [ 4.8142503 -3.6150817 3.2065574 ] [ -0.6549159 0.8539462 -7.6951976 ] [ 1.9463484 2.2345241 -1.0994193 ] [ -7.5538205 -5.233957 2.2448363 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.320172366639084e-09 9.229448012999262e-09 5.356434049156163e-09 ] [ 7.713279277339386e-09 -5.79199938202192e-09 5.137471299533234e-09 ] [ -1.049290943570191e-09 1.368172637061001e-09 -1.232906568715627e-08 ] [ 3.118393902411487e-09 3.580102271634161e-09 -1.761463898916302e-09 ] [ -1.210255460281977e-08 -8.385723539672506e-09 3.596624237383175e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -23.275786 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.729192015994395e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.955181 0.6926333 0.4457953 ] [ 0.5357729 2.8647457 0.5634609 ] [ 1.0103613 1.7347216 2.4088953 ] [ 2.5052023 0.1685906 1.9393245 ] [ 2.5959133 2.122642 0.899488 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.55181e-11 6.926333e-11 4.457953e-11 ] [ 5.357729e-11 2.8647457e-10 5.634609000000001e-11 ] [ 1.0103613e-10 1.7347216e-10 2.4088953e-10 ] [ 2.5052023e-10 1.685906e-11 1.9393245e-10 ] [ 2.5959133e-10 2.122642e-10 8.99488e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.87e-05 4.58e-05 -4.1e-05 ] [ -2.14e-05 -6.46e-05 1.01e-05 ] [ 2.8e-05 6.86e-05 5.5e-06 ] [ -5.7e-06 -9.39e-05 2.92e-05 ] [ -1.95e-05 4.41e-05 -3.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.996070280896e-14 7.337968923264e-14 -6.56892414528e-14 ] [ -3.428657968511999e-14 -1.0350060970368e-13 1.618198387008e-14 ] [ 4.48609453824e-14 1.0990931618688e-13 8.8119714144e-15 ] [ -9.13240673856e-15 -1.5044438469312e-13 4.678355732736e-14 ] [ -3.12424441056e-14 7.065598897728e-14 -6.24848882112e-15 ] ] } "relaxed-potential-energy" { "source-value" -28.867458 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.625076630952593e-18 } }