{ "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" [ [ 2.596447 0.5894877 3.838334 ] [ 1.369077 2.86119 3.866131 ] [ 2.011058 5.105046 2.796353 ] [ 3.116098 2.834339 2.386368 ] [ 3.638135 2.33604 4.892399 ] [ 3.921466 4.7829 1.89112 ] [ 5.122204 3.316972 3.335617 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.596447e-10 5.894877e-11 3.838334e-10 ] [ 1.369077e-10 2.86119e-10 3.866131e-10 ] [ 2.011058e-10 5.105046e-10 2.796353e-10 ] [ 3.116098e-10 2.834339e-10 2.386368e-10 ] [ 3.638135e-10 2.33604e-10 4.892399e-10 ] [ 3.921466e-10 4.7829e-10 1.89112e-10 ] [ 5.122204e-10 3.316972e-10 3.335617e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.8893777 -2.3435075 -0.7034936 ] [ -3.4433385 0.8939334 1.7113284 ] [ -4.7979371 2.2939893 1.8497021 ] [ -1.8950602 -6.6549759 -4.2029422 ] [ 1.5168885 0.4023083 3.4559751 ] [ 5.020104 4.9792786 -3.5980905 ] [ 4.488721 0.4289737 1.4875207 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.424940158000876e-09 -3.754712927169456e-09 -1.127120998802427e-09 ] [ -5.516836442200541e-09 1.432239194032255e-09 2.741850352991071e-09 ] [ -7.687142649688953e-09 3.675376024825357e-09 2.963549460064664e-09 ] [ -3.036221147448572e-09 -1.066244679896744e-08 -6.733855731413717e-09 ] [ 2.430323291060381e-09 6.445689526137927e-10 5.537082507286942e-09 ] [ 8.043093262784563e-09 7.977683761369754e-09 -5.764776478622583e-09 ] [ 7.191723843493997e-09 6.87291633078073e-10 2.38327088849605e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.797917 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.050452341233887e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3405095 0.995232 3.5090182 ] [ 1.4741934 3.162445 4.3589731 ] [ 1.7296596 4.9499301 2.8721247 ] [ 3.5456782 2.2749062 1.77138 ] [ 3.708044 2.3445626 5.163035 ] [ 3.8362949 4.7878538 1.8784608 ] [ 5.1401055 3.311045 3.4533301 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3405095e-10 9.952320000000001e-11 3.5090182e-10 ] [ 1.4741934e-10 3.162445e-10 4.3589731e-10 ] [ 1.7296596e-10 4.9499301e-10 2.8721247e-10 ] [ 3.5456782e-10 2.2749062e-10 1.77138e-10 ] [ 3.708044e-10 2.3445626e-10 5.163035e-10 ] [ 3.8362949e-10 4.7878538e-10 1.8784608e-10 ] [ 5.1401055e-10 3.311045e-10 3.4533301e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.11e-05 6.11e-05 -4.8e-06 ] [ 2.78e-05 -5.52e-05 3.18e-05 ] [ 2.78e-05 4e-05 -1.89e-05 ] [ 1.36e-05 -2.14e-05 -3.29e-05 ] [ -4.22e-05 -1.39e-05 2.57e-05 ] [ -5.65e-05 -7.9e-06 -2.04e-05 ] [ 1.84e-05 -2.7e-06 1.95e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.778416049088e-14 9.789299153088e-14 -7.69044777984e-15 ] [ 4.454051005824e-14 -8.844014946816001e-14 5.094921654144e-14 ] [ 4.454051005824e-14 6.4087064832e-14 -3.028113813312e-14 ] [ 2.178960204288e-14 -3.428657968511999e-14 -5.271161082432e-14 ] [ -6.761185339776e-14 -2.227025502912e-14 4.117593915456e-14 ] [ -9.052297907519999e-14 -1.265719530432e-14 -3.268440306432e-14 ] [ 2.948004982272e-14 -4.32587687616e-15 3.12424441056e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.065695 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.894443416750346e-18 } }