{ "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" [ [ 2.735268 2.856882 0.3239211 ] [ 1.752307 5.080999 1.048158 ] [ 2.257155 3.165316 3.087528 ] [ 4.821596 2.368521 1.002197 ] [ 4.597336 2.893151 3.290106 ] [ 3.849033 4.748793 0.5493667 ] [ 3.5339 4.902962 2.909562 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.735268e-10 2.856882e-10 3.239211e-11 ] [ 1.752307e-10 5.080999e-10 1.048158e-10 ] [ 2.257155e-10 3.165316e-10 3.087528e-10 ] [ 4.821596000000001e-10 2.368521e-10 1.002197e-10 ] [ 4.597336e-10 2.893151e-10 3.290106e-10 ] [ 3.849033e-10 4.748793e-10 5.493667e-11 ] [ 3.5339e-10 4.902962e-10 2.909562e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.6235069 -1.1045924 0.4920924 ] [ -1.0720276 -0.5912309 1.007496 ] [ -1.1602555 -1.2402935 -1.0867841 ] [ 0.3823724 0.389205 0.9068555 ] [ 0.0625206 -0.6190465 -0.8246498 ] [ 2.4948569 0.9703758 -0.3093128 ] [ 0.9160401 2.1955826 -0.1856972 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.601144798887484e-09 -1.769752118793362e-09 7.884189385533619e-10 ] [ -1.717577557572334e-09 -9.472563254745427e-10 1.614186536749517e-09 ] [ -1.858934236254615e-09 -1.987169248630205e-09 -1.741220076877169e-09 ] [ 6.126281197191859e-10 6.23575151698464e-10 1.452942680543895e-09 ] [ 1.001690436383885e-10 -9.918218294880673e-10 -1.321234629907396e-09 ] [ 3.997201397421564e-09 1.554713420150097e-09 -4.955737366741862e-10 ] [ 1.467658031935294e-09 3.517711110755278e-09 -2.975197123880218e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -21.514741 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.447041503276722e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4119714 2.4913162 0.538631 ] [ 2.0130369 4.7473692 1.3496845 ] [ 1.991205 2.8136354 2.8219014 ] [ 4.6934566 2.7018339 0.9214088 ] [ 4.2699947 3.0254025 3.2195909 ] [ 4.2942367 4.9578854 0.5381757 ] [ 3.8726938 5.2791815 2.8214466 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4119714e-10 2.4913162e-10 5.38631e-11 ] [ 2.0130369e-10 4.7473692e-10 1.3496845e-10 ] [ 1.991205e-10 2.8136354e-10 2.8219014e-10 ] [ 4.6934566e-10 2.7018339e-10 9.214088000000001e-11 ] [ 4.2699947e-10 3.025402500000001e-10 3.2195909e-10 ] [ 4.2942367e-10 4.9578854e-10 5.381757000000001e-11 ] [ 3.8726938e-10 5.2791815e-10 2.8214466e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.3e-05 3.77e-05 1.03e-05 ] [ 1.66e-05 -8.3e-06 -4.7e-06 ] [ 1.14e-05 -4.4e-05 -1.75e-05 ] [ -2.04e-05 1.31e-05 3.97e-05 ] [ -2.75e-05 2.68e-05 -2.94e-05 ] [ -3.52e-05 -2.81e-05 1.54e-05 ] [ 4.21e-05 2.7e-06 -1.38e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.08282960704e-14 6.040205860416e-14 1.650241919424e-14 ] [ 2.659613190528e-14 -1.329806595264e-14 -7.53023011776e-15 ] [ 1.826481347712e-14 -7.04957713152e-14 -2.8038090864e-14 ] [ -3.268440306432e-14 2.098851373248e-14 6.360641184576e-14 ] [ -4.4059857072e-14 4.293833343744e-14 -4.710399265152e-14 ] [ -5.639661705216e-14 -4.502116304448e-14 2.467351996032e-14 ] [ 6.745163573568001e-14 4.32587687616e-15 -2.211003736704e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.96247 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.678993258982137e-18 } }