{ "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" [ [ 2.246807 1.041122 2.124463 ] [ 1.267764 1.326115 3.99765 ] [ 2.011294 2.700157 5.439591 ] [ 2.31677 3.176049 2.822929 ] [ 4.533635 0.1687206 2.857812 ] [ 4.258439 2.493804 2.204153 ] [ 4.092776 1.731475 4.602458 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.246807e-10 1.041122e-10 2.124463e-10 ] [ 1.267764e-10 1.326115e-10 3.99765e-10 ] [ 2.011294e-10 2.700157e-10 5.439591000000001e-10 ] [ 2.31677e-10 3.176049e-10 2.822929e-10 ] [ 4.533635000000001e-10 1.687206e-11 2.857812e-10 ] [ 4.258439e-10 2.493804e-10 2.204153e-10 ] [ 4.092776e-10 1.731475e-10 4.602458e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -12.7276021 -16.5519497 -17.3338509 ] [ -19.1933189 -12.5134902 5.7225968 ] [ -0.6305905 3.9672797 10.9516668 ] [ -7.5418234 25.9163938 -12.4782403 ] [ 4.5737533 -10.4947763 -0.5794458 ] [ 14.4647801 11.7558503 -9.4888267 ] [ 21.0548014 -2.0793076 23.2061001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.039186652346498e-08 -2.651914683799758e-08 -2.777189066041304e-08 ] [ -3.075108681713878e-08 -2.004882144304992e-08 9.168610803224894e-09 ] [ -1.010317356398582e-09 6.356282783514438e-09 1.754650450575155e-08 ] [ -1.208333312968237e-08 4.152264024180608e-08 -1.999234487738438e-08 ] [ 7.327960606566849e-09 -1.681448522838593e-08 -9.283745137807528e-10 ] [ 2.317513250123309e-08 1.883494850828467e-08 -1.520277629756282e-08 ] [ 3.37335105586671e-08 -3.331418024171758e-09 3.718027104016455e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 9.1266917 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.462257206698941e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1684967 -0.1939043 2.4816433 ] [ 0.7573136 1.1052573 3.8698482 ] [ 2.2247458 2.6580478 4.8842961 ] [ 2.827614 4.1353964 3.1385559 ] [ 4.3179658 0.7309621 2.8251951 ] [ 4.2388346 2.8362306 1.7503945 ] [ 4.1925146 1.3654528 5.0991228 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1684967e-10 -1.939043e-11 2.4816433e-10 ] [ 7.573136e-11 1.1052573e-10 3.8698482e-10 ] [ 2.2247458e-10 2.6580478e-10 4.884296100000001e-10 ] [ 2.827614e-10 4.135396400000001e-10 3.1385559e-10 ] [ 4.3179658e-10 7.309621e-11 2.8251951e-10 ] [ 4.2388346e-10 2.8362306e-10 1.7503945e-10 ] [ 4.1925146e-10 1.3654528e-10 5.0991228e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -7e-07 -7.1e-06 5.8e-06 ] [ 3.07e-05 4e-06 1e-07 ] [ -2.84e-05 1.73e-05 1.7e-06 ] [ 2.9e-06 3.88e-05 2.8e-06 ] [ 2.91e-05 -1.21e-05 -2.61e-05 ] [ -2.35e-05 -1.37e-05 -6.8e-06 ] [ -1e-05 -2.72e-05 2.26e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.12152363456e-15 -1.137545400768e-14 9.292624400640001e-15 ] [ 4.918682225856e-14 6.4087064832e-15 1.6021766208e-16 ] [ -4.550181603071999e-14 2.771765553984e-14 2.72370025536e-15 ] [ 4.646312200320001e-15 6.216445288704e-14 4.48609453824e-15 ] [ 4.662333966527999e-14 -1.938633711168e-14 -4.181680980288e-14 ] [ -3.76511505888e-14 -2.194981970496e-14 -1.089480102144e-14 ] [ -1.6021766208e-14 -4.357920408576e-14 3.620919163008e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.893559 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.706646527190543e-18 } }