{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.9541135 0.9980995 1.487518 ] [ 0.5060444 0.4713921 2.728449 ] [ 2.547937 2.415228 0.679434 ] [ 2.841188 2.325305 2.080908 ] [ 1.503866 2.653234 2.3648 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.541135e-11 9.980995000000001e-11 1.487518e-10 ] [ 5.060444e-11 4.713921e-11 2.728449e-10 ] [ 2.547937e-10 2.415228e-10 6.79434e-11 ] [ 2.841188e-10 2.325305e-10 2.080908e-10 ] [ 1.503866e-10 2.653234e-10 2.3648e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 13.5387053 8.8155706 -67.7275857 ] [ -24.2577543 -28.1129651 62.4996519 ] [ -4.5096997 6.1383307 -83.5784521 ] [ 92.8352362 -21.2858376 54.5408468 ] [ -77.6064874 34.4449014 34.2655391 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.169139728627196e-08 1.412410123069736e-08 -1.085115552857725e-07 ] [ -3.886520713277302e-08 -4.504193579567747e-08 1.001354819073137e-07 ] [ -7.225335485696809e-09 9.834690019304862e-09 -1.339074430605082e-07 ] [ 1.487384462515109e-07 -3.410367163783864e-08 8.738407034153365e-08 ] [ -1.243393007590954e-07 5.518681618351388e-08 5.489944609743338e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 63.245816 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.013309685934633e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.8104576 1.3371375 1.6484775 ] [ -0.2088914 -0.5924184 2.3595258 ] [ 2.8899209 1.5103911 0.5035047 ] [ 3.4705731 3.390676 1.8423404 ] [ 1.3910887 3.2174726 2.9872606 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.104576e-11 1.3371375e-10 1.6484775e-10 ] [ -2.088914e-11 -5.924184000000001e-11 2.3595258e-10 ] [ 2.8899209e-10 1.5103911e-10 5.035047000000001e-11 ] [ 3.470573100000001e-10 3.390676e-10 1.8423404e-10 ] [ 1.3910887e-10 3.2174726e-10 2.9872606e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.89e-05 2.1e-06 2.7e-06 ] [ -2.09e-05 1.24e-05 -1.2e-05 ] [ -1.27e-05 -2.01e-05 4.7e-06 ] [ -7.5e-06 1.04e-05 -3.06e-05 ] [ -2.78e-05 -4.8e-06 3.52e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.103899700826e-13 3.364570931399999e-15 4.3258769118e-15 ] [ -3.34854916506e-14 1.98669902616e-14 -1.9226119608e-14 ] [ -2.03476432518e-14 -3.22037503434e-14 7.530230179799999e-15 ] [ -1.2016324755e-14 1.66626369936e-14 -4.90266050004e-14 ] [ -4.454051042519999e-14 -7.690447843199998e-15 5.63966175168e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.303473 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.811016032364988e-18 } }