{ "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" [ [ 2.743488 1.903222 1.191758 ] [ 2.092285 1.109675 3.649357 ] [ 1.94045 3.241003 2.726585 ] [ 4.050079 0.1031898 2.277213 ] [ 5.000478 2.032764 2.106801 ] [ 4.158728 1.007331 4.48257 ] [ 3.981083 3.39009 3.613579 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.743488e-10 1.903222e-10 1.191758e-10 ] [ 2.092285e-10 1.109675e-10 3.649357e-10 ] [ 1.94045e-10 3.241003e-10 2.726585e-10 ] [ 4.050079e-10 1.031898e-11 2.277213e-10 ] [ 5.000478000000001e-10 2.032764e-10 2.106801e-10 ] [ 4.158728e-10 1.007331e-10 4.48257e-10 ] [ 3.981083e-10 3.39009e-10 3.613579e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.3189649 -4.4965253 -9.4972685 ] [ -9.2078212 -3.9731904 0.3028746 ] [ -8.1819611 7.4184989 3.0690661 ] [ -4.3366462 -13.1348875 -1.1662066 ] [ 10.8608762 9.0155574 -4.8069056 ] [ 6.2659939 0.6196736 6.1509211 ] [ 4.2805935 4.5508733 5.9475189 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.1103810563581e-10 -7.204227710495706e-09 -1.521630155216029e-08 ] [ -1.47525558551466e-08 -6.365752768867001e-09 4.852586031541517e-10 ] [ -1.310894678671505e-08 1.188574549901052e-08 4.917185953109835e-09 ] [ -6.948073154321161e-09 -2.104440966933816e-08 -1.868468949542657e-09 ] [ 1.740104192904315e-08 1.444451528976043e-08 -7.701511770712597e-09 ] [ 1.003922893265541e-08 9.928265544469709e-10 9.854861982805418e-09 ] [ 6.858266828848446e-09 7.291302805482945e-09 9.528975733346135e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -15.542715 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.490217459675747e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7588104 1.8150082 1.0389824 ] [ 1.8607166 0.8778768 3.5191695 ] [ 1.8979724 3.2934279 2.8656202 ] [ 3.9004144 -0.0958889 2.3100628 ] [ 5.1484269 2.1244438 2.0213543 ] [ 4.2504214 1.1873078 4.5013172 ] [ 4.1498289 3.5850992 3.7913567 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7588104e-10 1.8150082e-10 1.0389824e-10 ] [ 1.8607166e-10 8.778768e-11 3.5191695e-10 ] [ 1.8979724e-10 3.2934279e-10 2.8656202e-10 ] [ 3.9004144e-10 -9.58889e-12 2.3100628e-10 ] [ 5.148426899999999e-10 2.1244438e-10 2.0213543e-10 ] [ 4.2504214e-10 1.1873078e-10 4.5013172e-10 ] [ 4.149828900000001e-10 3.5850992e-10 3.7913567e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.1e-06 7.2e-06 -2.13e-05 ] [ -1.46e-05 -8.61e-05 -7.8e-06 ] [ 4.04e-05 4.08e-05 2.27e-05 ] [ -1.13e-05 2.62e-05 2.49e-05 ] [ -5.3e-06 -3.9e-06 -2.21e-05 ] [ -7.5e-06 -3.2e-06 2.56e-05 ] [ -7.8e-06 1.88e-05 -2.2e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.77327738688e-15 1.153567166976e-14 -3.412636202304e-14 ] [ -2.339177866368e-14 -1.3794740705088e-13 -1.249697764224e-14 ] [ 6.472793548032e-14 6.536880612864e-14 3.636940929216e-14 ] [ -1.810459581504e-14 4.197702746496e-14 3.989419785791999e-14 ] [ -8.491536090240001e-15 -6.24848882112e-15 -3.540810331968e-14 ] [ -1.2016324656e-14 -5.126965186560001e-15 4.101572149248001e-14 ] [ -1.249697764224e-14 3.012092047104e-14 -3.52478856576e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.53667 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.450554916388474e-18 } }