{ "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" [ [ 2.836172 2.264881 3.605889 ] [ 1.711544 3.356754 1.507539 ] [ 2.817956 4.908146 3.003841 ] [ 0.8092812 3.284881 3.852119 ] [ 4.796821 1.314646 2.655969 ] [ 4.297416 3.615744 1.848977 ] [ 4.570903 3.768738 4.135906 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.836172e-10 2.264881e-10 3.605889e-10 ] [ 1.711544e-10 3.356754e-10 1.507539e-10 ] [ 2.817956e-10 4.908146e-10 3.003841e-10 ] [ 8.092812000000001e-11 3.284881e-10 3.852119e-10 ] [ 4.796821e-10 1.314646e-10 2.655969e-10 ] [ 4.297416000000001e-10 3.615744e-10 1.848977e-10 ] [ 4.570903000000001e-10 3.768738e-10 4.135906000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -9.2837525 -34.1102766 22.9905367 ] [ -13.0092673 -1.434845 -19.2920169 ] [ -4.4065766 34.5591666 0.9813155 ] [ -13.1160496 -1.0253975 7.6577208 ] [ 6.5639738 -14.464494 -5.5323744 ] [ 20.6523549 6.9681701 -26.9655785 ] [ 12.5993174 9.5076765 20.1603968 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.487421120879355e-08 -5.465068769754131e-08 3.683490040038439e-08 ] [ -2.084314392179794e-08 -2.298875113471776e-09 -3.090921844525849e-08 ] [ -7.060114006284353e-09 5.536988876085222e-08 1.572240751728662e-09 ] [ -2.101422802637319e-08 -1.642867901526768e-09 1.226902123437387e-08 ] [ 1.051664536190374e-08 -2.317467411850188e-08 -8.863840921192428e-09 ] [ 3.308872018524432e-08 1.11642392239776e-08 -4.320361943904713e-08 ] [ 2.018633177631864e-08 1.523297700642957e-08 3.230051641901114e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 15.670081 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.510623742424229e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.287418 2.146637 4.1987492 ] [ 1.8810106 3.529563 0.8876098 ] [ 2.4373701 5.487312 4.2269596 ] [ 1.5051596 3.477751 3.2080736 ] [ 4.683948 1.436163 2.445628 ] [ 3.8230834 2.2820214 0.4241924 ] [ 4.2221034 4.1543426 5.2190274 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.287418000000001e-10 2.146637e-10 4.1987492e-10 ] [ 1.8810106e-10 3.529563e-10 8.876098000000001e-11 ] [ 2.4373701e-10 5.487312e-10 4.2269596e-10 ] [ 1.5051596e-10 3.477751e-10 3.2080736e-10 ] [ 4.683948000000001e-10 1.436163e-10 2.445628e-10 ] [ 3.8230834e-10 2.2820214e-10 4.241924e-11 ] [ 4.2221034e-10 4.1543426e-10 5.2190274e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.07e-05 6.3e-06 -4.7e-06 ] [ 9.2e-06 -1e-07 6.6e-06 ] [ -1.42e-05 7.9e-06 -1e-06 ] [ 7.7e-06 -1.3e-06 -2.5e-06 ] [ -1.38e-05 6.3e-06 -2.4e-06 ] [ -1.4e-06 -4.8e-06 9.6e-06 ] [ 1.8e-06 -1.43e-05 -5.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.714328984256e-14 1.009371271104e-14 -7.53023011776e-15 ] [ 1.474002491136e-14 -1.6021766208e-16 1.057436569728e-14 ] [ -2.275090801536e-14 1.265719530432e-14 -1.6021766208e-15 ] [ 1.233675998016e-14 -2.08282960704e-15 -4.005441552e-15 ] [ -2.211003736704e-14 1.009371271104e-14 -3.84522388992e-15 ] [ -2.24304726912e-15 -7.69044777984e-15 1.538089555968e-14 ] [ 2.88391791744e-15 -2.291112567744e-14 -8.972189076479999e-15 ] ] } "relaxed-potential-energy" { "source-value" -17.355219 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.780612613066396e-18 } }