{ "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" [ [ 0.5353879 0.9970923 2.660459 ] [ 0.8434423 2.30713 1.528251 ] [ 1.912844 1.041012 0.0827139 ] [ 2.263312 0.2132627 1.656325 ] [ 2.91731 1.870919 1.650254 ] [ 2.184429 2.813613 2.907386 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.353879e-11 9.970923e-11 2.660459e-10 ] [ 8.434423e-11 2.30713e-10 1.528251e-10 ] [ 1.912844e-10 1.041012e-10 8.27139e-12 ] [ 2.263312e-10 2.132627e-11 1.656325e-10 ] [ 2.91731e-10 1.870919e-10 1.650254e-10 ] [ 2.184429e-10 2.813613e-10 2.907386e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -7.7602859 -12.6172521 13.2828189 ] [ -7.4057922 13.9899735 -14.1310621 ] [ -6.0888663 3.188316 -23.1924704 ] [ -2.1081139 -32.8768139 12.9390139 ] [ 27.691218 12.8691692 -9.8383265 ] [ -4.3281596 15.4466073 20.9400262 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.243334863970389e-08 -2.021506633335971e-08 2.128142189990038e-08 ] [ -1.1865387121343e-08 2.241440846731155e-08 -2.264045732369295e-08 ] [ -9.755439233037e-09 5.108245354922572e-09 -3.715843385347603e-08 ] [ -3.37757080456351e-09 -5.267446259697248e-08 2.073058556678623e-08 ] [ 4.436622208107613e-08 2.061868202135944e-08 -1.576273670609709e-08 ] [ -6.93447612221108e-09 2.474819308673861e-08 3.354962041657946e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -0.84877747 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.359891418695774e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.6155889 0.948647 3.0270304 ] [ 0.3250571 2.5229686 1.2343959 ] [ 1.9258878 1.3428129 -0.0614817 ] [ 2.2164236 -0.2315084 1.7311595 ] [ 3.5872991 1.7399747 1.6292054 ] [ 1.9864687 2.9201342 2.9250795 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.155889e-11 9.486470000000001e-11 3.0270304e-10 ] [ 3.250571e-11 2.5229686e-10 1.2343959e-10 ] [ 1.9258878e-10 1.3428129e-10 -6.14817e-12 ] [ 2.2164236e-10 -2.315084e-11 1.7311595e-10 ] [ 3.5872991e-10 1.7399747e-10 1.6292054e-10 ] [ 1.9864687e-10 2.9201342e-10 2.9250795e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.27e-05 7.4e-06 7.1e-06 ] [ 9.6e-06 -6.8e-06 -1.22e-05 ] [ -9e-07 -4.2e-06 9.6e-06 ] [ -9.9e-06 1.42e-05 -8.3e-06 ] [ -1.04e-05 7.2e-06 3.1e-06 ] [ -1.1e-06 -1.79e-05 7e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.034764308416e-14 1.185610699392e-14 1.137545400768e-14 ] [ 1.538089555968e-14 -1.089480102144e-14 -1.954655477376e-14 ] [ -1.44195895872e-15 -6.72914180736e-15 1.538089555968e-14 ] [ -1.586154854592e-14 2.275090801536e-14 -1.329806595264e-14 ] [ -1.666263685632e-14 1.153567166976e-14 4.96674752448e-15 ] [ -1.76239428288e-15 -2.867896151232001e-14 1.12152363456e-15 ] ] } "relaxed-potential-energy" { "source-value" -17.513765 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.806014482518531e-18 } }