{ "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" [ [ 2.180035 1.415878 2.755479 ] [ 0.3300308 2.592052 2.653614 ] [ 2.100058 3.620481 1.423788 ] [ 2.171562 4.236408 3.751897 ] [ 3.719666 3.140383 2.648489 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.180035e-10 1.415878e-10 2.755479e-10 ] [ 3.300308e-11 2.592052e-10 2.653614e-10 ] [ 2.100058e-10 3.620481e-10 1.423788e-10 ] [ 2.171562e-10 4.236408e-10 3.751897e-10 ] [ 3.719666e-10 3.140383e-10 2.648489e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.8889473 6.1252029 -1.3253906 ] [ 4.37241 4.2316424 -0.7226404 ] [ -11.7512995 -0.9219963 0.3459877 ] [ -3.0986661 -3.7875238 -4.763567 ] [ 7.5886082 -5.6473252 6.4656102 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.628603822783284e-09 9.81365688403636e-09 -2.123509832748084e-09 ] [ 7.005373078552129e-09 6.779838520866001e-09 -1.15779755412556e-09 ] [ -1.882765732291873e-08 -1.477200916324103e-09 5.543334040243642e-10 ] [ -4.964610381085515e-09 -6.068282083083576e-09 -7.632075679014394e-09 ] [ 1.215829064245117e-08 -9.048012405494685e-09 1.035904950164601e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -22.441635 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.595546292952701e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2272127 1.7376448 2.8345414 ] [ 0.3035352 2.8230064 2.6634459 ] [ 2.0426692 3.4697965 1.4531136 ] [ 2.0309303 3.7956805 3.6522991 ] [ 3.8970044 3.1790739 2.629867 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2272127e-10 1.7376448e-10 2.8345414e-10 ] [ 3.035352e-11 2.8230064e-10 2.6634459e-10 ] [ 2.0426692e-10 3.4697965e-10 1.4531136e-10 ] [ 2.0309303e-10 3.7956805e-10 3.6522991e-10 ] [ 3.8970044e-10 3.1790739e-10 2.629867e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.55e-05 -4.96e-05 9.36e-05 ] [ 0.000203 4.82e-05 -5.54e-05 ] [ -1.53e-05 3.04e-05 1.18e-05 ] [ -0.0001379 -1.94e-05 7.73e-05 ] [ -1.43e-05 -9.6e-06 -0.0001273 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.68772700384e-14 -7.946796039168e-14 1.4996373170688e-13 ] [ 3.252418540224e-13 7.722491312256001e-14 -8.876058479231999e-14 ] [ -2.451330229824e-14 4.870616927232e-14 1.890568412544e-14 ] [ -2.2094015600832e-13 -3.108222644352e-14 1.2384825278784e-13 ] [ -2.291112567744e-14 -1.538089555968e-14 -2.0395708382784e-13 ] ] } "relaxed-potential-energy" { "source-value" -28.867458 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.625076630952593e-18 } }