{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.638378 0.8784031 3.89936 ] [ 3.076863 3.046669 3.275657 ] [ 5.153788 2.352253 2.384418 ] [ 4.273122 0.1786437 2.239865 ] [ 4.529593 1.652308 4.599133 ] [ 5.775659 4.557099 1.971672 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.638378e-10 8.784031e-11 3.89936e-10 ] [ 3.076863e-10 3.046669e-10 3.275657e-10 ] [ 5.153788e-10 2.352253e-10 2.384418e-10 ] [ 4.273122e-10 1.786437e-11 2.239865e-10 ] [ 4.529593e-10 1.652308e-10 4.599133e-10 ] [ 5.775659e-10 4.557099e-10 1.971672e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.3372612 -2.350564 -0.6780553 ] [ -1.6761645 2.6524979 -1.1933658 ] [ 1.0787395 0.7894477 -1.0593526 ] [ -0.4799454 -0.9107937 -0.754813 ] [ 3.3793726 0.0457432 3.7207684 ] [ 0.0352591 -0.2263311 -0.0351816 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.744705251342953e-09 -3.766018686494131e-09 -1.08636434926953e-09 ] [ -2.685511574514922e-09 4.249770122101097e-09 -1.911982784822289e-09 ] [ 1.728331206833481e-09 1.264834648284332e-09 -1.697269968903694e-09 ] [ -7.689572991405044e-10 -1.459252372511929e-09 -1.20934374167591e-09 ] [ 5.41435177269211e-09 7.328868560057855e-11 5.961328141891422e-09 ] [ 5.649130569044929e-11 -3.626223969799469e-10 -5.636713700233729e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -8.9965723 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.441409780639689e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.8431293 0.6636496 3.94051 ] [ 2.5106815 2.8533608 3.1189949 ] [ 4.8212903 2.711286 2.6970635 ] [ 4.2095215 0.5431438 2.0173149 ] [ 4.7896731 1.6796174 4.8117265 ] [ 6.2731073 4.2143181 1.7844952 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8431293e-10 6.636496e-11 3.94051e-10 ] [ 2.5106815e-10 2.8533608e-10 3.1189949e-10 ] [ 4.821290300000001e-10 2.711286e-10 2.6970635e-10 ] [ 4.2095215e-10 5.431438e-11 2.0173149e-10 ] [ 4.7896731e-10 1.6796174e-10 4.8117265e-10 ] [ 6.2731073e-10 4.2143181e-10 1.7844952e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.3e-06 3.1e-06 6.4e-06 ] [ 1.62e-05 -1.21e-05 4.7e-06 ] [ -1.89e-05 1.6e-06 1.57e-05 ] [ 4.9e-06 2.3e-06 -7.8e-06 ] [ -9.8e-06 4.3e-06 -1.17e-05 ] [ 9.9e-06 7e-07 -7.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.68500622784e-15 4.96674752448e-15 1.025393037312e-14 ] [ 2.595526125696e-14 -1.938633711168e-14 7.53023011776e-15 ] [ -3.028113813312e-14 2.56348259328e-15 2.515417294656e-14 ] [ 7.850665441919999e-15 3.68500622784e-15 -1.249697764224e-14 ] [ -1.570133088384e-14 6.889359469440001e-15 -1.874546646336e-14 ] [ 1.586154854592e-14 1.12152363456e-15 -1.169588933184e-14 ] ] } "relaxed-potential-energy" { "source-value" -10.18296 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.631490044254157e-18 } }