{ "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" [ [ -2.6971977 -0.578684 -0.6696594 ] [ 0.1345831 -1.750358 -0.2407537 ] [ 2.3786196 0.5879469 -0.0802325 ] [ -3.1972048 1.6531297 1.6125854 ] [ 1.9204518 -3.1502854 -7.4292363 ] [ 1.0197215 5.2154647 0.4432144 ] [ 0.4410264 -1.9772138 6.3640822 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.321387096615532e-09 -9.271539756310272e-10 -1.072912634578956e-09 ] [ 2.156258963747885e-10 -2.804382665630246e-09 -3.85729949511097e-10 ] [ 3.810968712896648e-09 9.419947774518358e-10 -1.28546635728336e-10 ] [ -5.12248678246954e-09 2.648605756490118e-09 2.583646626923416e-09 ] [ 3.076902975333277e-09 -5.047313616727577e-09 -1.19029487102587e-08 ] [ 1.633773947027107e-09 8.356095608947687e-09 7.101077496818996e-10 ] [ 7.066021872355891e-10 -3.167845724683127e-09 1.019638371368943e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -18.609987 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.981648608479193e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.6985581 3.0369218 2.7298238 ] [ 2.5930148 2.0061377 1.6717705 ] [ 2.4082381 2.0166825 4.0578087 ] [ 1.4631556 5.1358939 3.4334994 ] [ 4.3159513 3.5836528 1.840239 ] [ 3.3961674 5.737634 2.2015929 ] [ 3.5600755 4.0814674 4.1086076 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.985581e-11 3.0369218e-10 2.7298238e-10 ] [ 2.593014800000001e-10 2.0061377e-10 1.6717705e-10 ] [ 2.4082381e-10 2.0166825e-10 4.0578087e-10 ] [ 1.4631556e-10 5.135893900000001e-10 3.4334994e-10 ] [ 4.3159513e-10 3.5836528e-10 1.840239e-10 ] [ 3.3961674e-10 5.737634e-10 2.2015929e-10 ] [ 3.5600755e-10 4.0814674e-10 4.1086076e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.54e-05 6e-07 -1.4e-05 ] [ -4.6e-06 -9.8e-06 -5.4e-06 ] [ -1.2e-06 1.73e-05 5.2e-06 ] [ -1.9e-06 -6.1e-06 1.06e-05 ] [ -1.48e-05 3.4e-06 7.4e-06 ] [ 1.4e-06 -4e-06 2.2e-06 ] [ 5.7e-06 -1.4e-06 -6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.467351996032e-14 9.6130597248e-16 -2.24304726912e-14 ] [ -7.370012455680001e-15 -1.570133088384e-14 -8.65175375232e-15 ] [ -1.92261194496e-15 2.771765553984e-14 8.33131842816e-15 ] [ -3.04413557952e-15 -9.77327738688e-15 1.698307218048e-14 ] [ -2.371221398784e-14 5.44740051072e-15 1.185610699392e-14 ] [ 2.24304726912e-15 -6.4087064832e-15 3.52478856576e-15 ] [ 9.13240673856e-15 -2.24304726912e-15 -9.6130597248e-15 ] ] } "relaxed-potential-energy" { "source-value" -22.247465 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.564436829506627e-18 } }