{ "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" [ [ 1.173582 1.448006 2.849718 ] [ 1.983285 3.621531 1.348175 ] [ 2.327062 3.623818 3.682153 ] [ 3.341801 1.495458 1.660386 ] [ 3.963915 2.011825 3.715692 ] [ 4.47485 3.510245 1.32465 ] [ 4.551743 4.234559 4.054178 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.173582e-10 1.448006e-10 2.849718e-10 ] [ 1.983285e-10 3.621531e-10 1.348175e-10 ] [ 2.327062e-10 3.623818e-10 3.682153e-10 ] [ 3.341801e-10 1.495458e-10 1.660386e-10 ] [ 3.963915e-10 2.011825e-10 3.715692e-10 ] [ 4.47485e-10 3.510245e-10 1.32465e-10 ] [ 4.551743e-10 4.234559e-10 4.054178000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.8231789 0.0357949 -1.0095534 ] [ 1.8707934 0.0680782 10.9018663 ] [ 1.8213776 1.2435684 -10.2261405 ] [ 2.603286 7.1439048 -0.8918577 ] [ 0.9411185 3.3677862 1.0338374 ] [ -4.7778733 -7.5981785 0.9829886 ] [ -4.2818813 -4.2609539 -0.7911406 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.921054609115861e-09 5.734975192387392e-11 -1.617482854929151e-09 ] [ 2.997341447826943e-09 1.090733004261466e-10 1.74667153089474e-08 ] [ 2.918168608368814e-09 1.992416216845663e-09 -1.638408323011602e-08 ] [ 4.170923966455949e-09 1.14457972517809e-08 -1.42891355602046e-09 ] [ 1.507838058102365e-09 5.395788313492873e-09 1.656390111988658e-09 ] [ -7.654996898404544e-09 -1.217362395336521e-08 1.574921353432923e-09 ] [ -6.860330111900712e-09 -6.826800720886581e-09 -1.267546973085685e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.548771 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.209446441197304e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.0616058 1.0999506 2.213657 ] [ 2.3495314 3.9871979 1.6076163 ] [ 2.2712555 4.5533934 3.7402457 ] [ 3.2487903 1.0172507 2.4542925 ] [ 4.8128428 2.0559935 3.6155747 ] [ 3.9936305 3.4205535 0.2550986 ] [ 4.0785818 3.8111024 4.7484671 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0616058e-10 1.0999506e-10 2.213657e-10 ] [ 2.3495314e-10 3.9871979e-10 1.6076163e-10 ] [ 2.2712555e-10 4.5533934e-10 3.7402457e-10 ] [ 3.2487903e-10 1.0172507e-10 2.4542925e-10 ] [ 4.812842800000001e-10 2.0559935e-10 3.6155747e-10 ] [ 3.9936305e-10 3.4205535e-10 2.550986e-11 ] [ 4.0785818e-10 3.8111024e-10 4.7484671e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.1739632 -0.1393528 -0.1004924 ] [ 0.1433554 0.2264936 0.2037923 ] [ -0.527736 0.2646139 -0.8014179 ] [ 0.3250269 0.1459564 0.2563382 ] [ -0.7367051 0.3683396 0.3461542 ] [ -0.3805059 0.0530749 0.0135845 ] [ 1.0026016 -0.9191256 0.0820411 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.787197719195546e-10 -2.232677982030183e-10 -1.610065738480819e-10 ] [ 2.296806703454323e-10 3.628827506808269e-10 3.265112585590599e-10 ] [ -8.455262811545089e-10 4.239582041187092e-10 -1.284013022870632e-09 ] [ 5.207505003110996e-10 2.338479317361331e-10 4.106990710579546e-10 ] [ -1.180331687644126e-09 5.901450956348237e-10 5.546001664317274e-10 ] [ -6.096376570564628e-10 8.503536393129792e-11 2.17647683052576e-11 ] [ 1.606344843496673e-09 -1.472601547898773e-09 1.314443323647149e-10 ] ] } "relaxed-potential-energy" { "source-value" -15.168067 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.4301922330128e-18 } }