{ "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" [ [ 1.919195 1.598632 0.607522 ] [ 2.894266 0.8592219 2.792014 ] [ 2.250891 3.034774 3.11288 ] [ 5.028948 2.389792 2.243338 ] [ 4.250492 2.740815 4.381763 ] [ 4.34969 4.079675 2.747402 ] [ 3.264148 3.629997 0.8600408 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.919195e-10 1.598632e-10 6.07522e-11 ] [ 2.894266e-10 8.592219e-11 2.792014e-10 ] [ 2.250891e-10 3.034774e-10 3.11288e-10 ] [ 5.028948e-10 2.389792e-10 2.243338e-10 ] [ 4.250492000000001e-10 2.740815e-10 4.381763e-10 ] [ 4.34969e-10 4.079675e-10 2.747402e-10 ] [ 3.264148e-10 3.629997e-10 8.600408e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.4445605 -1.2278441 -1.6124886 ] [ -1.2916785 -5.6970859 -1.3129383 ] [ -16.6574927 2.7620115 5.6649366 ] [ 16.4801113 -14.6521962 -8.6936994 ] [ 2.2745141 -3.0253337 14.7385621 ] [ 3.3837665 19.6579874 1.0820759 ] [ -3.7446602 2.1824609 -9.8664483 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.122644396311585e-10 -1.967223111007217e-09 -2.583491536226523e-09 ] [ -2.069497094290013e-09 -9.127737835669328e-09 -2.103559048812896e-09 ] [ -2.668824536508667e-08 4.425230251680739e-09 9.076228978834241e-09 ] [ 2.64040490330419e-08 -2.34754061950146e-08 -1.392884192694299e-08 ] [ 3.644173314699954e-09 -4.84711892425836e-09 2.361377962082895e-08 ] [ 5.421391576546244e-09 3.149556782426098e-08 1.733676708911119e-09 ] [ -5.999607025280253e-09 3.496687829790127e-09 -1.580779279659191e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -4.1761843 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.690984849612014e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.1339212 2.0155203 0.3558087 ] [ 2.5202391 0.9443913 2.4644118 ] [ 2.1866941 2.760711 3.9921392 ] [ 4.8689199 1.6033691 2.2825771 ] [ 4.7700632 3.0318794 4.212883 ] [ 3.396413 4.6257986 2.6738869 ] [ 4.0813795 3.3512372 0.7632531 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1339212e-10 2.0155203e-10 3.558087e-11 ] [ 2.5202391e-10 9.443913000000001e-11 2.4644118e-10 ] [ 2.1866941e-10 2.760711e-10 3.9921392e-10 ] [ 4.8689199e-10 1.6033691e-10 2.2825771e-10 ] [ 4.7700632e-10 3.0318794e-10 4.212883e-10 ] [ 3.396413e-10 4.625798600000001e-10 2.6738869e-10 ] [ 4.0813795e-10 3.3512372e-10 7.632531e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.54e-05 -1.47e-05 6.35e-05 ] [ -1.04e-05 3.81e-05 -2.86e-05 ] [ -2.68e-05 -1.93e-05 -9.2e-06 ] [ 7e-07 8.2e-06 -2.14e-05 ] [ 1.41e-05 -8.9e-06 3.32e-05 ] [ 1.5e-05 -1.3e-06 -2.22e-05 ] [ -2.8e-05 -2.2e-06 -1.52e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.671705237632e-14 -2.355199632576e-14 1.017382154208e-13 ] [ -1.666263685632e-14 6.104292925248e-14 -4.582225135488e-14 ] [ -4.293833343744e-14 -3.092200878144e-14 -1.474002491136e-14 ] [ 1.12152363456e-15 1.313784829056e-14 -3.428657968511999e-14 ] [ 2.259069035328e-14 -1.425937192512e-14 5.319226381056e-14 ] [ 2.4032649312e-14 -2.08282960704e-15 -3.556832098176e-14 ] [ -4.48609453824e-14 -3.52478856576e-15 -2.435308463616e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.875973 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.864046601465204e-18 } }