{ "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" [ [ 0.7315436 0.3767612 1.166558 ] [ 0.6069044 0.5624824 2.9402 ] [ 2.192795 0.1872249 0.2922769 ] [ 2.54678 0.883358 1.224646 ] [ 2.591807 0.3326772 2.854818 ] [ 2.523994 2.504234 0.7585561 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.315436e-11 3.767612e-11 1.166558e-10 ] [ 6.069044000000001e-11 5.624824e-11 2.9402e-10 ] [ 2.192795e-10 1.872249e-11 2.922769e-11 ] [ 2.54678e-10 8.83358e-11 1.224646e-10 ] [ 2.591807e-10 3.326772e-11 2.854818e-10 ] [ 2.523994e-10 2.504234e-10 7.585561e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -35.8289241 -4.2942797 -3.963018 ] [ -8.3556423 1.5761005 16.9684577 ] [ -18.5387018 -106.3032006 -109.4434146 ] [ 48.5014005 55.7677707 74.2325585 ] [ 7.3983584 -6.3516312 20.6353335 ] [ 6.8235093 59.6052402 1.5700828 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.740426454143769e-08 -6.880194538516038e-09 -6.349454787409575e-09 ] [ -1.338721474482754e-08 2.52519137313119e-09 2.718646621797374e-08 ] [ -2.970227460394287e-08 -1.703165027175325e-07 -1.753476801726414e-07 ] [ 7.770780995715744e-08 8.934981840967526e-08 1.189336697308683e-07 ] [ 1.18534768607793e-08 -1.017643501258385e-08 3.306144889611104e-08 ] [ 1.093246707227137e-08 9.549812232560831e-08 2.515549954880202e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 49.948681 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 8.002660893799717e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.0505128 -0.9260462 1.1504368 ] [ 0.514408 -0.4766004 3.2648389 ] [ 1.4180911 0.3757077 0.0048902 ] [ 2.7878617 1.6868928 1.1503094 ] [ 2.1102685 1.046326 3.1597881 ] [ 4.3126819 3.1404578 0.5067916 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.051279999999999e-12 -9.260462000000001e-11 1.1504368e-10 ] [ 5.14408e-11 -4.766004e-11 3.2648389e-10 ] [ 1.4180911e-10 3.757077e-11 4.8902e-13 ] [ 2.7878617e-10 1.6868928e-10 1.1503094e-10 ] [ 2.1102685e-10 1.046326e-10 3.1597881e-10 ] [ 4.312681900000001e-10 3.1404578e-10 5.067916e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.41e-05 -4.08e-05 2.7e-05 ] [ -3.1e-06 -2.96e-05 -1.9e-06 ] [ -1.96e-05 5.39e-05 2.89e-05 ] [ 6.8e-06 -9.23e-05 1.99e-05 ] [ -5.08e-05 2.34e-05 -3.79e-05 ] [ 8.09e-05 8.54e-05 -3.6e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.259069035328e-14 -6.536880612864e-14 4.32587687616e-14 ] [ -4.96674752448e-15 -4.742442797568e-14 -3.04413557952e-15 ] [ -3.140266176767999e-14 8.635731986112e-14 4.630290434112001e-14 ] [ 1.089480102144e-14 -1.4788090209984e-13 3.188331475392e-14 ] [ -8.139057233664001e-14 3.749093292672001e-14 -6.072249392832e-14 ] [ 1.2961608862272e-13 1.3682588341632e-13 -5.76783583488e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.753633 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.203574924366337e-18 } }