{ "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" [ [ 2.966654 1.561504 1.979713 ] [ 1.215751 3.296566 1.975446 ] [ 1.823708 4.192867 4.123573 ] [ 5.205541 2.34853 2.95907 ] [ 3.135824 2.260061 4.318186 ] [ 3.662306 3.63962 2.333021 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.966654e-10 1.561504e-10 1.979713e-10 ] [ 1.215751e-10 3.296566e-10 1.975446e-10 ] [ 1.823708e-10 4.192867e-10 4.123573e-10 ] [ 5.205541e-10 2.34853e-10 2.95907e-10 ] [ 3.135824e-10 2.260061e-10 4.318186e-10 ] [ 3.662306e-10 3.63962e-10 2.333021e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.1968172 -9.0987892 -6.0883899 ] [ -7.0190559 0.5406485 -3.073998 ] [ -1.4115633 2.8328783 2.9402741 ] [ 13.6336972 -0.9357801 0.9384368 ] [ -3.9183511 -3.5625451 9.9208043 ] [ 3.9120903 10.2235876 -4.6371272 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.326219020411317e-09 -1.457786733382754e-08 -9.75467595609485e-09 ] [ -1.12457672630683e-08 8.662143867705888e-10 -4.925087727985959e-09 ] [ -2.261573718039297e-09 4.538771381831649e-09 4.710838421763762e-09 ] [ 2.184359090890642e-08 -1.499284998429886e-09 1.503541501058365e-09 ] [ -6.277890524505963e-09 -5.707826469765598e-09 1.589488070899211e-08 ] [ 6.267859617118458e-09 1.637999303342078e-08 -7.429496787515767e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.331206 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.936982968426869e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.9047387 1.514656 2.0972957 ] [ 1.210191 3.30884 1.7740351 ] [ 1.6426037 4.141916 4.1048437 ] [ 5.29592 2.0567207 2.8179783 ] [ 3.3381311 2.3497687 4.4341903 ] [ 3.6181994 3.9272466 2.4606659 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9047387e-10 1.514656e-10 2.0972957e-10 ] [ 1.210191e-10 3.30884e-10 1.7740351e-10 ] [ 1.6426037e-10 4.141916e-10 4.1048437e-10 ] [ 5.295919999999999e-10 2.0567207e-10 2.8179783e-10 ] [ 3.3381311e-10 2.3497687e-10 4.4341903e-10 ] [ 3.6181994e-10 3.9272466e-10 2.4606659e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.06e-05 5.12e-05 9.6e-06 ] [ -5e-06 -4.3e-05 -5.63e-05 ] [ -7.27e-05 4.59e-05 5e-05 ] [ 7.3e-06 -6.2e-06 -3.7e-06 ] [ 6.06e-05 -3.61e-05 1.03e-05 ] [ 5.03e-05 -1.18e-05 -9.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.504837080448e-14 8.203144298496001e-14 1.538089555968e-14 ] [ -8.010883104e-15 -6.889359469439999e-14 -9.020254375104e-14 ] [ -1.1647824033216e-13 7.353990689472e-14 8.010883104e-14 ] [ 1.169588933184e-14 -9.93349504896e-15 -5.928053496960001e-15 ] [ 9.709190322048001e-14 -5.783857601088001e-14 1.650241919424e-14 ] [ 8.058948402624e-14 -1.890568412544e-14 -1.586154854592e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.556334 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.453705436495615e-18 } }