{ "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" [ [ 1.971858 1.613185 3.540739 ] [ 1.980532 3.696797 1.101352 ] [ 1.421419 3.841396 3.166588 ] [ 2.933735 5.314328 3.389927 ] [ 3.610376 2.128489 1.767833 ] [ 4.452161 4.502678 1.60274 ] [ 4.038762 3.260824 3.402783 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.971858e-10 1.613185e-10 3.540739e-10 ] [ 1.980532e-10 3.696797e-10 1.101352e-10 ] [ 1.421419e-10 3.841396e-10 3.166588e-10 ] [ 2.933735e-10 5.314328e-10 3.389927e-10 ] [ 3.610376e-10 2.128489e-10 1.767833e-10 ] [ 4.452161e-10 4.502678000000001e-10 1.60274e-10 ] [ 4.038762e-10 3.260824e-10 3.402783e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.6274481 -5.1923625 1.4820739 ] [ 9.1755189 -2.1233003 -32.867364 ] [ -41.7991805 -19.8924209 25.2098294 ] [ 24.8594598 31.8446744 8.946307 ] [ -19.1598617 -50.2061778 -66.7658995 ] [ 6.1704327 13.5949848 -20.7472998 ] [ 20.1261828 31.9746022 84.742353 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.00528267658538e-09 -8.319081804218639e-09 2.374544152877877e-09 ] [ 1.470080186528853e-08 -3.401902099597626e-09 -5.265932218812357e-08 ] [ -6.696966976569926e-08 -3.18711716970933e-08 4.03905992790365e-08 ] [ 3.982924529727744e-08 5.102079282066826e-08 1.433356391789938e-08 ] [ -3.069748247350135e-08 -8.043916429088798e-08 -1.069707632455824e-07 ] [ 9.886123012159821e-09 2.178156680669137e-08 -3.324083868428852e-08 ] [ 3.224569954810708e-08 5.122896010422025e-08 1.357722167681807e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 3.5591997 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.702466548098374e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.1593198 1.7891159 3.7363459 ] [ 1.9166517 3.7134248 0.6325448 ] [ 1.0119405 3.9524782 3.0093977 ] [ 3.0364026 5.3423826 3.7128064 ] [ 3.5961295 1.8924851 1.5301899 ] [ 4.2532927 4.5548094 1.512551 ] [ 4.435106 3.1130009 3.8381264 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1593198e-10 1.7891159e-10 3.7363459e-10 ] [ 1.9166517e-10 3.7134248e-10 6.325448e-11 ] [ 1.0119405e-10 3.9524782e-10 3.0093977e-10 ] [ 3.0364026e-10 5.3423826e-10 3.7128064e-10 ] [ 3.5961295e-10 1.8924851e-10 1.5301899e-10 ] [ 4.2532927e-10 4.5548094e-10 1.512551e-10 ] [ 4.435106e-10 3.1130009e-10 3.8381264e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.89e-05 -1.6e-06 -8.1e-06 ] [ 3.12e-05 -1.36e-05 1.54e-05 ] [ -3.32e-05 2.5e-06 -2.18e-05 ] [ 2.76e-05 8.4e-06 1.26e-05 ] [ -3.38e-05 8.4e-06 -1.17e-05 ] [ -2.04e-05 -1.31e-05 5.3e-06 ] [ -1.03e-05 8.9e-06 8.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.232467054911999e-14 -2.56348259328e-15 -1.297763062848e-14 ] [ 4.998791056896e-14 -2.178960204288e-14 2.467351996032e-14 ] [ -5.319226381056e-14 4.005441552e-15 -3.492745033344e-14 ] [ 4.422007473408001e-14 1.345828361472e-14 2.018742542208e-14 ] [ -5.415356978304e-14 1.345828361472e-14 -1.874546646336e-14 ] [ -3.268440306432e-14 -2.098851373248e-14 8.491536090240001e-15 ] [ -1.650241919424e-14 1.425937192512e-14 1.329806595264e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.793262 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.972318472976905e-18 } }