{ "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" [ [ 0.8403174 0.0019487 1.613535 ] [ 0.0637823 2.769237 1.974876 ] [ 2.710551 0.627508 0.2521163 ] [ 2.357874 0.9595638 1.99039 ] [ 1.619464 1.82467 0.5389468 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.403174e-11 1.9487e-13 1.613535e-10 ] [ 6.37823e-12 2.769237e-10 1.974876e-10 ] [ 2.710551e-10 6.27508e-11 2.521163e-11 ] [ 2.357874e-10 9.595638e-11 1.99039e-10 ] [ 1.619464e-10 1.82467e-10 5.389467999999999e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -20.6804012 -16.8843445 -0.2017005 ] [ -4.813744 4.5734772 0.7288634 ] [ 32.1687959 -31.4142305 -30.3802155 ] [ 24.5681472 2.190574 42.5527159 ] [ -31.2427978 41.5345238 -12.6996632 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.313365531140426e-08 -2.705170201543307e-08 -3.231598255036704e-10 ] [ -7.712468095316275e-09 7.327518245601847e-09 1.167767899236799e-09 ] [ 5.154009271026689e-08 -5.033114566752229e-08 -4.867447100896578e-08 ] [ 3.936251106021298e-08 3.509686448932339e-09 6.817696656652443e-08 ] [ -5.005648020354168e-08 6.654564298842117e-08 -2.034710347107411e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 18.331095 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.936965184266378e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.4004914 -0.4760393 2.1425669 ] [ 0.0598819 3.6080802 1.3705901 ] [ 3.3306623 1.4133433 0.0005084 ] [ 2.8249817 0.0675514 2.0301448 ] [ 0.9759715 1.5699919 0.8260539 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.004914e-11 -4.760393e-11 2.1425669e-10 ] [ 5.988190000000001e-12 3.6080802e-10 1.3705901e-10 ] [ 3.3306623e-10 1.4133433e-10 5.084e-14 ] [ 2.8249817e-10 6.75514e-12 2.0301448e-10 ] [ 9.759715e-11 1.5699919e-10 8.260539e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -7.9e-06 -3.4e-06 -9.5e-06 ] [ 7.1e-06 -1.07e-05 1.1e-06 ] [ -1.38e-05 -8.3e-06 9e-07 ] [ 1.23e-05 1.2e-05 7.1e-06 ] [ 2.3e-06 1.04e-05 5e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.265719530432e-14 -5.44740051072e-15 -1.52206778976e-14 ] [ 1.137545400768e-14 -1.714328984256e-14 1.76239428288e-15 ] [ -2.211003736704e-14 -1.329806595264e-14 1.44195895872e-15 ] [ 1.970677243584e-14 1.92261194496e-14 1.137545400768e-14 ] [ 3.68500622784e-15 1.666263685632e-14 8.010883104e-16 ] ] } "relaxed-potential-energy" { "source-value" -10.201399 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.63444429772525e-18 } }