{ "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" [ [ 2.55675 2.192965 3.527099 ] [ 1.806278 5.26626 2.450306 ] [ 0.8031725 3.384297 2.630387 ] [ 2.570894 3.149532 1.167105 ] [ 2.627788 4.286276 4.286712 ] [ 4.842075 2.861339 2.293967 ] [ 3.90768 5.002934 2.246314 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.55675e-10 2.192965e-10 3.527099e-10 ] [ 1.806278e-10 5.26626e-10 2.450306e-10 ] [ 8.031725e-11 3.384297e-10 2.630387e-10 ] [ 2.570894e-10 3.149532e-10 1.167105e-10 ] [ 2.627788e-10 4.286276e-10 4.286712e-10 ] [ 4.842075000000001e-10 2.861339e-10 2.293967e-10 ] [ 3.90768e-10 5.002934e-10 2.246314e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.9659773 -12.9946309 4.3853349 ] [ -13.5302025 18.8791767 -5.1170759 ] [ -13.0812532 -9.8688402 0.5736171 ] [ 0.7244555 -1.085359 -11.577963 ] [ 4.2234691 5.1755831 12.401154 ] [ 3.1185885 -5.4776539 1.4403153 ] [ 15.5789653 5.3717242 -2.1053823 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.752019527034408e-09 -2.081969399543439e-08 7.026081109044726e-09 ] [ -2.167777429878838e-08 3.024777577789722e-08 -8.19845944138452e-09 ] [ -2.095847822047773e-08 -1.581162517311989e-08 9.190359144828413e-10 ] [ 1.160705674472787e-09 -1.738936829301606e-09 -1.854994178791654e-08 ] [ 6.766743506441009e-09 8.292198310145285e-09 1.986883917343563e-08 ] [ 4.996529625761108e-09 -8.776169087718971e-09 2.3076395192527e-09 ] [ 2.49602541855568e-08 8.606450997532342e-09 -3.373194326697178e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.714369 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.037066492785394e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6233649 2.2720903 3.6096355 ] [ 1.5095018 5.3585951 2.4545747 ] [ 0.4073155 2.9753908 2.4468693 ] [ 2.6108176 3.3216895 0.9619752 ] [ 2.9079761 4.6173317 4.5527765 ] [ 4.8222902 2.5205323 2.2456182 ] [ 4.2333712 5.0779733 2.3304405 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6233649e-10 2.2720903e-10 3.6096355e-10 ] [ 1.5095018e-10 5.358595099999999e-10 2.4545747e-10 ] [ 4.073155e-11 2.9753908e-10 2.4468693e-10 ] [ 2.6108176e-10 3.3216895e-10 9.619752e-11 ] [ 2.9079761e-10 4.6173317e-10 4.5527765e-10 ] [ 4.822290200000001e-10 2.5205323e-10 2.2456182e-10 ] [ 4.2333712e-10 5.0779733e-10 2.3304405e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.9e-06 1.03e-05 2.67e-05 ] [ 3.94e-05 2.64e-05 2.49e-05 ] [ -2.26e-05 -1.4e-05 -5.2e-06 ] [ 2.06e-05 5e-05 4.11e-05 ] [ -1e-05 -2.79e-05 -7.81e-05 ] [ 4.18e-05 -1.02e-05 8.4e-06 ] [ -7.1e-05 -3.45e-05 -1.79e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.0441356046e-15 1.65024193302e-14 4.277811612779999e-14 ] [ 6.31257593796e-14 4.22974631376e-14 3.989419818659999e-14 ] [ -3.62091919284e-14 -2.243047287599999e-14 -8.331318496799998e-15 ] [ 3.300483866039999e-14 8.010883169999999e-14 6.58494596574e-14 ] [ -1.602176634e-14 -4.470072808859999e-14 -1.251299951154e-13 ] [ 6.697098330119999e-14 -1.63422016668e-14 1.34582837256e-14 ] [ -1.13754541014e-13 -5.527509387299999e-14 -2.86789617486e-14 ] ] } "relaxed-potential-energy" { "source-value" -23.847122 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.820730165654734e-18 } }