{ "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" [ [ 2.1688 2.788884 1.320769 ] [ 2.532136 2.630615 3.81334 ] [ 3.448306 1.022917 2.319133 ] [ 4.871015 2.854538 3.444822 ] [ 3.148673 5.011898 0.914954 ] [ 4.462028 3.106005 1.382629 ] [ 3.536809 5.003724 3.350012 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1688e-10 2.788884e-10 1.320769e-10 ] [ 2.532136e-10 2.630615e-10 3.813340000000001e-10 ] [ 3.448306e-10 1.022917e-10 2.319133e-10 ] [ 4.871015e-10 2.854538e-10 3.444822e-10 ] [ 3.148673e-10 5.011898e-10 9.149540000000001e-11 ] [ 4.462028e-10 3.106005e-10 1.382629e-10 ] [ 3.536809e-10 5.003724e-10 3.350012e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 10.25156 -2.173152 2.1910199 ] [ 10.5085206 -6.3561798 -7.2439145 ] [ -7.5540882 11.6861552 3.7234544 ] [ -5.8079781 -0.9519486 3.0913878 ] [ 4.0980533 -8.0711749 5.5175971 ] [ -10.8836671 5.8482043 -3.4563032 ] [ -0.6124005 0.0180959 -3.8232415 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.642480975872845e-08 -3.481773327844762e-09 3.510400859487554e-09 ] [ 1.683650602451519e-08 -1.018372267316122e-08 -1.160603045497412e-08 ] [ -1.210298350550115e-08 1.872328464848035e-08 5.965631588294892e-09 ] [ -9.305406725938404e-09 -1.525189791123291e-09 4.952949258986346e-09 ] [ 6.565805188052289e-09 -1.293144772716778e-08 8.840165076613878e-09 ] [ -1.743755697619014e-08 9.369856203122029e-09 -5.537608181436226e-09 ] [ -9.811737636662304e-10 2.899282791233472e-11 -6.125508146972324e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.747682 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.081097834499299e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.0343212 1.7792825 0.8192682 ] [ 3.7446473 1.1991863 3.9058201 ] [ 1.8446816 1.2309411 2.7909592 ] [ 5.5914888 2.2631221 3.342863 ] [ 4.0727062 5.474555 1.4882431 ] [ 5.6204107 3.9869396 1.972483 ] [ 2.2595113 6.4845544 2.2260224 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0343212e-10 1.7792825e-10 8.192682000000001e-11 ] [ 3.7446473e-10 1.1991863e-10 3.9058201e-10 ] [ 1.8446816e-10 1.2309411e-10 2.7909592e-10 ] [ 5.5914888e-10 2.2631221e-10 3.342863e-10 ] [ 4.0727062e-10 5.474555e-10 1.4882431e-10 ] [ 5.6204107e-10 3.9869396e-10 1.972483e-10 ] [ 2.2595113e-10 6.484554400000001e-10 2.2260224e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.1184527 -0.0557673 0.0920517 ] [ 0.103735 0.0560664 -0.1869864 ] [ 0.0891862 -0.0856715 0.0292501 ] [ -0.1876401 -0.1433574 0.0818793 ] [ -0.3270302 0.3599795 0.0912583 ] [ 0.1707664 -0.0374168 0.1023577 ] [ 0.2694354 -0.0938329 -0.2098107 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.897821466106362e-10 -8.934906426513984e-11 1.474830816448954e-10 ] [ 1.66201791758688e-10 8.982827529242112e-11 -2.995852384875571e-10 ] [ 1.428920445379929e-10 -1.372608743688672e-10 4.686382637606208e-11 ] [ -3.006325813445741e-10 -2.296838746986739e-10 1.311851001874695e-10 ] [ -5.239601407355482e-10 5.767507388672736e-10 1.462119147139526e-10 ] [ 2.735979336981811e-10 -5.994832218514944e-11 1.639951138988601e-10 ] [ 4.316830986958963e-10 -1.503368786418643e-10 -3.361537983336825e-10 ] ] } "relaxed-potential-energy" { "source-value" -16.050377 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.571553878442605e-18 } }