{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.032434 0.1172693 0.4247075 ] [ 0.2432392 0.0735251 2.276612 ] [ 0.5624588 1.720194 2.530042 ] [ 2.331345 1.198395 0.9085221 ] [ 2.704395 0.5611016 2.497073 ] [ 2.283372 2.154556 2.294867 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.032434e-10 1.172693e-11 4.247075e-11 ] [ 2.432392e-11 7.35251e-12 2.276612e-10 ] [ 5.624588000000001e-11 1.720194e-10 2.530042e-10 ] [ 2.331345e-10 1.198395e-10 9.085221e-11 ] [ 2.704395e-10 5.611016e-11 2.497073e-10 ] [ 2.283372e-10 2.154556e-10 2.294867e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -15.4187223 -15.5977733 -15.8942071 ] [ -10.2193844 -31.6428957 4.253624 ] [ -19.1747369 27.6502572 9.3301521 ] [ 16.4991049 6.2969363 -47.3367589 ] [ 17.4072158 -45.8202104 29.1707536 ] [ 10.9065229 59.113686 20.4764363 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.470351659519474e-08 -2.499038792368907e-08 -2.54653272315769e-08 ] [ -1.637325889954411e-08 -5.069750812263907e-08 6.815056982621616e-09 ] [ -3.072131542427759e-08 4.430059600993025e-08 1.494855168628603e-08 ] [ 2.64344803526949e-08 1.008880420564641e-08 -7.584184903887153e-08 ] [ 2.788943441775562e-08 -7.341207046784378e-08 4.673669981409138e-08 ] [ 1.747417614856592e-08 9.471056645881291e-08 3.280686778744941e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 30.621802 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.906153565537446e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.8908372 -0.1315065 0.4645648 ] [ 0.0763885 -0.4533492 2.7738729 ] [ 0.4868706 1.8690789 2.0082747 ] [ 2.5189588 1.7538677 0.4571528 ] [ 2.4565128 0.1700178 2.466159 ] [ 2.7276761 2.6169323 2.7617993 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.908372e-11 -1.315065e-11 4.645648e-11 ] [ 7.63885e-12 -4.533492e-11 2.7738729e-10 ] [ 4.868706e-11 1.8690789e-10 2.0082747e-10 ] [ 2.5189588e-10 1.7538677e-10 4.571528000000001e-11 ] [ 2.4565128e-10 1.700178e-11 2.466159e-10 ] [ 2.7276761e-10 2.6169323e-10 2.7617993e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.47e-05 -2.18e-05 -2.1e-05 ] [ -3.47e-05 1.6e-05 1.49e-05 ] [ -8.5e-06 2.68e-05 1.15e-05 ] [ -2.45e-05 1.86e-05 1.36e-05 ] [ 4.47e-05 1.63e-05 3.8e-06 ] [ -1.18e-05 -5.59e-05 -2.27e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.55955291998e-14 -3.492745062119999e-14 -3.364570931399999e-14 ] [ -5.55955291998e-14 2.5634826144e-14 2.38724318466e-14 ] [ -1.3618501389e-14 4.293833379119999e-14 1.8425031291e-14 ] [ -3.925332753299999e-14 2.98004853924e-14 2.17896022224e-14 ] [ 7.16172955398e-14 2.61154791342e-14 6.088271209199999e-15 ] [ -1.89056842812e-14 -8.956167384059998e-14 -3.636940959179999e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.045537 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.891213772938245e-18 } }