{ "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" [ [ 2.06977 2.12479 1.528563 ] [ 2.041317 1.533814 3.912889 ] [ 1.700439 5.299543 2.410292 ] [ 0.6511626 3.199571 3.041419 ] [ 2.983959 3.688065 3.444542 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.06977e-10 2.12479e-10 1.528563e-10 ] [ 2.041317e-10 1.533814e-10 3.912889e-10 ] [ 1.700439e-10 5.299543e-10 2.410292e-10 ] [ 6.511626e-11 3.199571e-10 3.041419e-10 ] [ 2.983959e-10 3.688065e-10 3.444542e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 5.4041756 -6.9017155 -18.1279706 ] [ 4.8807575 -18.4665586 13.6868755 ] [ -6.7668272 15.4466003 -8.0286428 ] [ -26.3298014 8.9575062 1.8995016 ] [ 22.8116955 0.9641676 10.5702363 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.65844387235293e-09 -1.105776730861563e-08 -2.904421091715896e-08 ] [ 7.819835622720253e-09 -2.958668869931175e-08 2.192879211856706e-08 ] [ -1.084165242615564e-08 2.474818207539739e-08 -1.286330389689233e-08 ] [ -4.218499258094048e-08 1.435150713255013e-08 3.043337079765614e-09 ] [ 3.654836551202294e-08 1.544766799979858e-09 1.693538561571861e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -8.0652839 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.292200941115639e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.259571 1.6975654 1.4879428 ] [ 1.9635327 1.5965126 4.1815986 ] [ 1.5311187 5.6225671 2.9205811 ] [ 0.4568946 3.2651841 2.7136081 ] [ 3.2355305 3.6639537 3.0339744 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.259571e-10 1.6975654e-10 1.4879428e-10 ] [ 1.9635327e-10 1.5965126e-10 4.1815986e-10 ] [ 1.5311187e-10 5.6225671e-10 2.9205811e-10 ] [ 4.568946e-11 3.2651841e-10 2.7136081e-10 ] [ 3.2355305e-10 3.6639537e-10 3.0339744e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.62e-05 1.97e-05 5.19e-05 ] [ -2.5e-05 -1.88e-05 -7.72e-05 ] [ 1e-06 -6.8e-06 -4.25e-05 ] [ 7.47e-05 8.7e-06 7.13e-05 ] [ -6.7e-05 -2.8e-06 -3.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.59552614708e-14 3.15628796898e-14 8.315296730459999e-14 ] [ -4.005441585e-14 -3.012092071919999e-14 -1.236880361448e-13 ] [ 1.602176634e-15 -1.08948011112e-14 -6.8092506945e-14 ] [ 1.196825945598e-13 1.39389367158e-14 1.142351940042e-13 ] [ -1.07345834478e-13 -4.486094575199999e-15 -5.4474005556e-15 ] ] } "relaxed-potential-energy" { "source-value" -16.624493 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.663537423669656e-18 } }