{ "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" [ [ 2.965438 2.618572 1.194827 ] [ 1.728438 2.327042 2.925955 ] [ 2.189414 4.329945 2.407266 ] [ 3.949135 1.445792 2.998392 ] [ 4.502281 4.108784 2.139004 ] [ 4.146323 3.387836 4.449004 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.965438e-10 2.618572e-10 1.194827e-10 ] [ 1.728438e-10 2.327042e-10 2.925955e-10 ] [ 2.189414e-10 4.329945000000001e-10 2.407266e-10 ] [ 3.949135e-10 1.445792e-10 2.998392e-10 ] [ 4.502281e-10 4.108784e-10 2.139004e-10 ] [ 4.146323e-10 3.387836e-10 4.449004000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.6228792 -1.1222052 -3.6313734 ] [ -2.3297438 -3.0095739 3.0182554 ] [ -0.3446821 4.1049048 0.5083507 ] [ 0.4898348 0.0402941 0.5677399 ] [ 0.9346345 0.1675521 0.6115041 ] [ -0.3729227 -0.1809719 -1.0744767 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.600139112622608e-09 -1.797970935180188e-09 -5.818101562875007e-09 ] [ -3.732661048813752e-09 -4.821868941149878e-09 4.835778237483353e-09 ] [ -5.522416022282477e-10 6.5767825011697e-09 8.144676067073146e-10 ] [ 7.848018646142439e-10 6.455826497617728e-11 9.096195944753298e-10 ] [ 1.497449544893098e-09 2.684480573859437e-10 9.797375725433454e-10 ] [ -5.974880313056121e-10 -2.899489472017555e-10 -1.721501448334335e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.119025 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.063205486749072e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.8797121 2.6173923 1.0325914 ] [ 1.8094223 2.2023335 3.216304 ] [ 2.3290847 4.5101458 2.5160693 ] [ 4.1645839 1.5625072 2.8554241 ] [ 4.6842432 3.8703254 2.1551693 ] [ 3.6139828 3.4552669 4.3388898 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8797121e-10 2.6173923e-10 1.0325914e-10 ] [ 1.8094223e-10 2.2023335e-10 3.216304e-10 ] [ 2.3290847e-10 4.5101458e-10 2.5160693e-10 ] [ 4.1645839e-10 1.5625072e-10 2.8554241e-10 ] [ 4.6842432e-10 3.8703254e-10 2.1551693e-10 ] [ 3.6139828e-10 3.4552669e-10 4.3388898e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.52e-05 -3.2e-06 1.05e-05 ] [ 6.64e-05 3.38e-05 2.39e-05 ] [ 1.18e-05 -1.94e-05 5.8e-06 ] [ -1.11e-05 2.52e-05 -1.29e-05 ] [ 1.54e-05 -1.02e-05 2.2e-06 ] [ -6.73e-05 -2.63e-05 -2.95e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.435308463616e-14 -5.126965186560001e-15 1.68228545184e-14 ] [ 1.0638452762112e-13 5.415356978304e-14 3.829202123712e-14 ] [ 1.890568412544e-14 -3.108222644352e-14 9.292624400640001e-15 ] [ -1.778416049088e-14 4.037485084416e-14 -2.066807840832e-14 ] [ 2.467351996032e-14 -1.634220153216e-14 3.52478856576e-15 ] [ -1.0782648657984e-13 -4.213724512704e-14 -4.72642103136e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.568499 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.295436822274818e-18 } }