{ "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" [ [ 2.819728 1.352428 1.364201 ] [ 2.130711 2.142985 3.535598 ] [ 2.900765 3.536828 2.247591 ] [ 4.867849 2.542824 1.805581 ] [ 4.180951 2.552465 4.619841 ] [ 3.604443 0.2919785 5.062878 ] [ 4.799237 0.5958561 3.34882 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.819728e-10 1.352428e-10 1.364201e-10 ] [ 2.130711e-10 2.142985e-10 3.535598e-10 ] [ 2.900765e-10 3.536828e-10 2.247591e-10 ] [ 4.867849e-10 2.542824e-10 1.805581e-10 ] [ 4.180951e-10 2.552465e-10 4.619841e-10 ] [ 3.604443e-10 2.919785e-11 5.062878e-10 ] [ 4.799237e-10 5.958561e-11 3.34882e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.2387526 -0.9944028 0.0401722 ] [ -0.9990626 -1.9686243 1.9821179 ] [ 0.3033894 3.0123554 -1.0279371 ] [ 0.7008153 -0.8862792 0.5842808 ] [ -0.1378199 0.337823 -0.2532646 ] [ -1.5910364 0.1068814 1.4711298 ] [ 1.4849617 0.3922465 -2.796499 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.825238370267484e-10 -1.593208930944175e-09 6.436296017637479e-11 ] [ -1.600674753623288e-09 -3.154083854584606e-09 3.175702985213148e-09 ] [ 4.860834076832795e-10 4.826325435183723e-09 -1.646936802841721e-09 ] [ 1.1228298984097e-09 -1.419975825440213e-09 9.361210454548272e-10 ] [ -2.208118234802166e-10 5.41252117027782e-10 -4.057746243393564e-10 ] [ -2.549121343923477e-09 1.712428816892076e-10 2.357009791141093e-09 ] [ 2.379170938124917e-09 6.284481770682809e-10 -4.480485354804365e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.368101005765546 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.782676560838945e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.0349256 0.8987902 1.4827894 ] [ 1.8304024 1.7214391 3.2553815 ] [ 2.9091697 3.7193215 2.9170761 ] [ 4.7756396 2.4254581 2.1291634 ] [ 4.5915567 3.01339 4.4527655 ] [ 3.4446675 1.0440892 4.7288672 ] [ 4.7173225 0.1928764 3.0184669 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.0349256e-10 8.987902000000001e-11 1.4827894e-10 ] [ 1.8304024e-10 1.7214391e-10 3.2553815e-10 ] [ 2.9091697e-10 3.7193215e-10 2.9170761e-10 ] [ 4.7756396e-10 2.4254581e-10 2.1291634e-10 ] [ 4.5915567e-10 3.01339e-10 4.4527655e-10 ] [ 3.4446675e-10 1.0440892e-10 4.7288672e-10 ] [ 4.7173225e-10 1.928764e-11 3.0184669e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.96e-05 2.33e-05 -4.36e-05 ] [ 2.71e-05 1.27e-05 -7e-06 ] [ -2.88e-05 -1.98e-05 -7.4e-06 ] [ 3.96e-05 4.4e-06 -1.51e-05 ] [ -4.29e-05 -3.22e-05 1.68e-05 ] [ 2.28e-05 5.13e-05 7.2e-05 ] [ 2.17e-05 -3.97e-05 -1.56e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.34461947064e-14 3.733071557219999e-14 -6.985490124239999e-14 ] [ 4.34189867814e-14 2.03476432518e-14 -1.1215236438e-14 ] [ -4.614268705919999e-14 -3.17230973532e-14 -1.18561070916e-14 ] [ 6.34461947064e-14 7.0495771896e-15 -2.41928671734e-14 ] [ -6.873337759859999e-14 -5.159008761479998e-14 2.691656745119999e-14 ] [ 3.65296272552e-14 8.21916613242e-14 1.15356717648e-13 ] [ 3.476723295779999e-14 -6.36064123698e-14 -2.49939554904e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.808943005765546 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.333960226207528e-18 } }