{ "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" [ [ 0.4191919 0.8222526 0.2510936 ] [ 0.2848942 2.623705 0.3718827 ] [ 0.6213019 2.72569 2.983351 ] [ 2.411362 0.3472546 0.8650246 ] [ 2.114314 0.6145619 2.800723 ] [ 2.695562 2.69906 2.453497 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.191919e-11 8.222526e-11 2.510936e-11 ] [ 2.848942e-11 2.623705000000001e-10 3.718827e-11 ] [ 6.213019e-11 2.72569e-10 2.983351e-10 ] [ 2.411362e-10 3.472546e-11 8.650246000000001e-11 ] [ 2.114314e-10 6.145619e-11 2.800723e-10 ] [ 2.695562e-10 2.69906e-10 2.453497e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.4653071 -7.954216 -1.2333601 ] [ -0.2420027 8.1946259 2.805962 ] [ -2.4945824 0.5118939 -1.4678149 ] [ 1.4568266 -1.1338447 -3.6641118 ] [ -0.5461968 -1.5910844 4.1743094 ] [ 2.2912624 1.9726252 -0.6149847 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.455041571122476e-10 -1.274405891199329e-08 -1.97606071724755e-09 ] [ -3.877310681104762e-10 1.312923803318216e-08 4.49564671525321e-09 ] [ -3.996761599939155e-09 8.201444389101331e-10 -2.35169871644189e-09 ] [ 2.334093519079554e-09 -1.81661946995799e-09 -5.870554261957406e-09 ] [ -8.751037433157736e-10 -2.549198227399596e-09 6.687980928665676e-09 ] [ 3.671007049398097e-09 3.160493977040924e-09 -9.853141084897019e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -7.4478838 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.193282529879506e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.7003882 0.7854301 -0.1110682 ] [ 0.2651391 2.812058 0.8094833 ] [ 0.8577269 2.525965 3.1278373 ] [ 2.5294289 0.5328125 1.2019939 ] [ 1.5575674 0.3716199 3.242299 ] [ 2.6363754 2.8046386 1.4550267 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.003882e-11 7.854301e-11 -1.110682e-11 ] [ 2.651391e-11 2.812058e-10 8.094833000000001e-11 ] [ 8.577269e-11 2.525965e-10 3.1278373e-10 ] [ 2.5294289e-10 5.328125000000001e-11 1.2019939e-10 ] [ 1.5575674e-10 3.716199e-11 3.242299e-10 ] [ 2.6363754e-10 2.8046386e-10 1.4550267e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 9.1e-06 9.1e-06 -8.3e-06 ] [ 2.2e-06 -1.8e-06 -1.24e-05 ] [ 1.47e-05 -1.09e-05 8.1e-06 ] [ -1.92e-05 6.9e-06 1.71e-05 ] [ 2.9e-06 -8.1e-06 9.5e-06 ] [ -9.8e-06 4.8e-06 -1.4e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.457980724928e-14 1.457980724928e-14 -1.329806595264e-14 ] [ 3.52478856576e-15 -2.88391791744e-15 -1.986699009792e-14 ] [ 2.355199632576e-14 -1.746372516672e-14 1.297763062848e-14 ] [ -3.076179111936e-14 1.105501868352e-14 2.739722021568e-14 ] [ 4.646312200320001e-15 -1.297763062848e-14 1.52206778976e-14 ] [ -1.570133088384e-14 7.69044777984e-15 -2.24304726912e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.421688 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.829956148367191e-18 } }