{ "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" [ [ 0.8884438 2.916456 2.400624 ] [ 2.811423 1.824332 1.936915 ] [ 1.907829 2.277214 4.357236 ] [ 1.702277 4.831739 3.243262 ] [ 3.61245 3.93555 1.732923 ] [ 3.530316 5.918227 2.544774 ] [ 3.982422 3.894872 3.827608 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.884438000000001e-11 2.916456e-10 2.400624e-10 ] [ 2.811423e-10 1.824332e-10 1.936915e-10 ] [ 1.907829e-10 2.277214e-10 4.357236e-10 ] [ 1.702277e-10 4.831739e-10 3.243262e-10 ] [ 3.61245e-10 3.93555e-10 1.732923e-10 ] [ 3.530316e-10 5.918227e-10 2.544774e-10 ] [ 3.982422e-10 3.894872e-10 3.827608e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.8284069 -0.0797845 -0.8629529 ] [ 0.3587278 -1.0442981 0.0004835 ] [ 1.6444773 0.0344194 0.6454776 ] [ -1.6772579 1.0360587 0.940427 ] [ 1.1440451 -1.4640544 -3.7295318 ] [ 0.6707506 3.0065858 0.0901396 ] [ -0.3123361 -1.4889269 2.915957 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.929430812624374e-09 -1.27828861655373e-10 -1.382602972622538e-09 ] [ 5.747452991262252e-10 -1.673150014750595e-09 7.746524025389999e-13 ] [ 2.634743105203408e-09 5.51459584362996e-11 1.034169128490398e-09 ] [ -2.687263416571908e-09 1.659949040592416e-09 1.506730165382718e-09 ] [ 1.832962327462193e-09 -2.345673750584889e-09 -5.975368705719961e-09 ] [ 1.07466093856148e-09 4.817081516876196e-09 1.444195609181064e-10 ] [ -5.004176013746873e-10 -2.385523888914055e-09 4.671878171148738e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.777970005765543 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.68812715091904e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.0705429 3.7802203 1.675631 ] [ 2.3880899 1.8990866 2.0905358 ] [ 2.4923706 2.6845826 4.2984281 ] [ 1.158283 4.5510881 3.9530045 ] [ 4.1766026 3.3424423 1.6846924 ] [ 2.8569449 5.2315981 2.3789112 ] [ 4.2923269 4.109372 3.962139 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0705429e-10 3.7802203e-10 1.675631e-10 ] [ 2.3880899e-10 1.8990866e-10 2.0905358e-10 ] [ 2.4923706e-10 2.6845826e-10 4.2984281e-10 ] [ 1.158283e-10 4.551088100000001e-10 3.9530045e-10 ] [ 4.1766026e-10 3.3424423e-10 1.6846924e-10 ] [ 2.8569449e-10 5.231598100000001e-10 2.3789112e-10 ] [ 4.2923269e-10 4.109372e-10 3.962139e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.7e-06 -2.1e-05 4.01e-05 ] [ 2.53e-05 7e-07 -2.95e-05 ] [ -1.32e-05 5e-06 6.3e-06 ] [ 1.41e-05 3.6e-06 -3.46e-05 ] [ -3.04e-05 -3.16e-05 -1.61e-05 ] [ 1.75e-05 2.72e-05 3.29e-05 ] [ -1.8e-05 1.6e-05 9e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.530230179799999e-15 -3.364570931399999e-14 6.42472830234e-14 ] [ 4.053506884019999e-14 1.1215236438e-15 -4.726421070299999e-14 ] [ -2.11487315688e-14 8.010883169999999e-15 1.00937127942e-14 ] [ 2.25906905394e-14 5.767835882399999e-15 -5.54353115364e-14 ] [ -4.870616967359999e-14 -5.06287816344e-14 -2.579504380739999e-14 ] [ 2.8038091095e-14 4.35792044448e-14 5.271161125859999e-14 ] [ -2.8839179412e-14 2.5634826144e-14 1.4419589706e-15 ] ] } "relaxed-potential-energy" { "source-value" -20.807805005765545 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.333777898506579e-18 } }