{ "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" [ [ 2.271696 2.59158 0.2830491 ] [ 1.885666 2.994299 3.04756 ] [ 2.618377 0.6246748 1.626494 ] [ 2.195128 4.700519 1.092758 ] [ 3.86025 2.803257 1.694059 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.271696e-10 2.59158e-10 2.830491e-11 ] [ 1.885666e-10 2.994299e-10 3.04756e-10 ] [ 2.618377e-10 6.246748e-11 1.626494e-10 ] [ 2.195128e-10 4.700519e-10 1.092758e-10 ] [ 3.86025e-10 2.803257e-10 1.694059e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.5719807 -1.1041901 -2.0805893 ] [ 0.5226186 -0.2896998 -0.964219 ] [ -0.0966587 1.659296 0.4620859 ] [ -0.0706106 -0.1463792 0.9973885 ] [ 1.2166314 -0.1190269 1.5853338 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.518590746638963e-09 -1.769107577714123e-09 -3.333471561410417e-09 ] [ 8.373273094137924e-10 -4.641502504344732e-10 -1.544849151858846e-09 ] [ -1.548643106128158e-10 2.658485280089664e-09 7.403432318808605e-10 ] [ -1.131306534327204e-10 -2.345253339436127e-10 1.597992549720309e-09 ] [ 1.949258401270707e-09 -1.907021179974546e-10 2.539984771450429e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -13.351901 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.139210380168123e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3928619 2.4947545 -0.1312901 ] [ 2.0312641 2.9275714 3.1593726 ] [ 2.3370893 1.0625726 1.7446194 ] [ 2.0871813 4.3597701 1.283488 ] [ 3.9827204 2.8696611 1.6877303 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3928619e-10 2.4947545e-10 -1.312901e-11 ] [ 2.0312641e-10 2.9275714e-10 3.1593726e-10 ] [ 2.3370893e-10 1.0625726e-10 1.7446194e-10 ] [ 2.0871813e-10 4.3597701e-10 1.283488e-10 ] [ 3.9827204e-10 2.8696611e-10 1.6877303e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8e-06 1.58e-05 -5.4e-05 ] [ 4.01e-05 -1.8e-06 3.87e-05 ] [ -2.99e-05 -5.28e-05 1.09e-05 ] [ -3.19e-05 3.14e-05 -3.35e-05 ] [ 1.36e-05 7.4e-06 3.78e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.2817413072e-14 2.53143908172e-14 -8.651753823599998e-14 ] [ 6.42472830234e-14 -2.8839179412e-15 6.200423573579999e-14 ] [ -4.790508135659999e-14 -8.45949262752e-14 1.74637253106e-14 ] [ -5.11094346246e-14 5.030834630759999e-14 -5.367291723899999e-14 ] [ 2.17896022224e-14 1.18561070916e-14 6.056227676519999e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.50509 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.323971627206706e-18 } }