{ "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" [ [ 1.570546 2.153895 2.543093 ] [ 2.524346 2.661693 4.212043 ] [ 2.241813 4.238266 2.673997 ] [ 3.729345 1.325386 1.859362 ] [ 4.629957 2.667135 3.458757 ] [ 3.970969 3.734581 1.387215 ] [ 4.050613 4.976756 3.428708 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.570546e-10 2.153895e-10 2.543093e-10 ] [ 2.524346e-10 2.661693e-10 4.212043000000001e-10 ] [ 2.241813e-10 4.238266e-10 2.673997e-10 ] [ 3.729345e-10 1.325386e-10 1.859362e-10 ] [ 4.629957e-10 2.667135e-10 3.458757e-10 ] [ 3.970969e-10 3.734581e-10 1.387215e-10 ] [ 4.050613e-10 4.976756e-10 3.428708e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -25.6192445 -18.2060626 -7.9540699 ] [ -12.6019314 -11.3684156 37.3791587 ] [ -32.1788115 30.11672 -10.8332494 ] [ 5.7269574 -18.8137085 -15.248416 ] [ 36.539868 -17.7490597 20.05557 ] [ 13.6070196 9.2791098 -33.2177736 ] [ 14.5261424 26.7414167 9.8187801 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.104655458045899e-08 -2.916932785454126e-08 -1.274382483398899e-08 ] [ -2.019051986600541e-08 -1.8214209689858e-08 5.988801417431292e-08 ] [ -5.155613947043018e-08 4.825230467917978e-08 -1.735677891597563e-08 ] [ 9.175597254597555e-09 -3.014288390924624e-08 -2.443065561943265e-08 ] [ 5.854332223671805e-08 -2.843712849252346e-08 3.213256537081785e-08 ] [ 2.180084868188737e-08 1.486677278339617e-08 -5.322074025694746e-08 ] [ 2.32734457436916e-08 4.284447264381069e-08 1.573141992099629e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 22.754781 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.645717812962405e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.9315724 3.0042355 3.2079302 ] [ 2.4304265 1.6907459 4.4864256 ] [ 2.3360293 4.5250937 2.0642006 ] [ 4.955452 1.8911114 1.7319983 ] [ 4.5592942 2.5767649 3.960576 ] [ 3.4566019 3.2046235 0.4535175 ] [ 4.0482127 4.8651371 3.6585267 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.315724e-11 3.0042355e-10 3.2079302e-10 ] [ 2.4304265e-10 1.6907459e-10 4.4864256e-10 ] [ 2.3360293e-10 4.525093700000001e-10 2.0642006e-10 ] [ 4.955452e-10 1.8911114e-10 1.7319983e-10 ] [ 4.5592942e-10 2.5767649e-10 3.960576e-10 ] [ 3.4566019e-10 3.2046235e-10 4.535175000000001e-11 ] [ 4.0482127e-10 4.8651371e-10 3.6585267e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.5e-06 1.64e-05 1.5e-06 ] [ 1.94e-05 4.2e-06 -2.37e-05 ] [ -8.2e-06 -2.9e-06 -1.76e-05 ] [ -2.22e-05 1.42e-05 -4.2e-06 ] [ 9.3e-06 9.7e-06 2.68e-05 ] [ 3.1e-06 -6.2e-06 2.01e-05 ] [ -7.9e-06 -3.53e-05 -2.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.04141480352e-14 2.627569658112e-14 2.4032649312e-15 ] [ 3.108222644352e-14 6.72914180736e-15 -3.797158591296e-14 ] [ -1.313784829056e-14 -4.646312200320001e-15 -2.819830852608e-14 ] [ -3.556832098176e-14 2.275090801536e-14 -6.72914180736e-15 ] [ 1.490024257344e-14 1.554111322176e-14 4.293833343744e-14 ] [ 4.96674752448e-15 -9.93349504896e-15 3.220375007808e-14 ] [ -1.265719530432e-14 -5.655683471424e-14 -4.646312200320001e-15 ] ] } "relaxed-potential-energy" { "source-value" -18.037353 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.889902527771674e-18 } }