{ "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" [ [ 0.3890178 0.3060136 0.2686133 ] [ 1.00003 0.111897 2.250713 ] [ 0.4846776 2.300953 2.298336 ] [ 2.957925 0.3909324 0.2522672 ] [ 2.37443 2.221414 1.416157 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.890178e-11 3.060136e-11 2.686133e-11 ] [ 1.00003e-10 1.11897e-11 2.250713e-10 ] [ 4.846776e-11 2.300953e-10 2.298336e-10 ] [ 2.957925e-10 3.909324e-11 2.522672e-11 ] [ 2.37443e-10 2.221414e-10 1.416157e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.6796914 -2.2010406 -12.8974173 ] [ -0.4764505 -5.2178009 13.3913049 ] [ -10.7519167 2.244823 6.2697553 ] [ 2.4155226 -4.4685246 -4.5885336 ] [ 13.492536 9.642543 -2.1751094 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.497692153638821e-09 -3.526455790751604e-09 -2.066394046676146e-08 ] [ -7.633578520684704e-10 -8.3598386139692e-09 2.145523563278448e-08 ] [ -1.722646956552909e-08 3.596602928434118e-09 1.004525535979689e-08 ] [ 3.870093836734031e-09 -7.159365643589672e-09 -7.351641257675258e-09 ] [ 2.161742573450235e-08 1.54490569596587e-08 -3.484909428362316e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.9262782 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.494944380396706e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.9311248 -0.7542693 0.2597529 ] [ -0.237575 0.1693705 2.311161 ] [ 0.9116974 2.3341375 2.9594037 ] [ 2.8067709 0.8363326 -0.3560288 ] [ 2.7940623 2.7456388 1.3117977 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.311248e-11 -7.542693e-11 2.597529e-11 ] [ -2.37575e-11 1.693705e-11 2.311161e-10 ] [ 9.116974e-11 2.3341375e-10 2.9594037e-10 ] [ 2.8067709e-10 8.363326000000001e-11 -3.560288e-11 ] [ 2.7940623e-10 2.7456388e-10 1.3117977e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.49e-05 1.07e-05 1.92e-05 ] [ 1.86e-05 4.52e-05 -1.8e-05 ] [ -6.1e-06 -5.01e-05 -1.3e-05 ] [ -3.68e-05 1.7e-05 3.22e-05 ] [ -5e-07 -2.27e-05 -2.04e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.989419785791999e-14 1.714328984256e-14 3.076179111936e-14 ] [ 2.980048514688e-14 7.241838326016e-14 -2.88391791744e-14 ] [ -9.77327738688e-15 -8.026904870208e-14 -2.08282960704e-14 ] [ -5.896009964544001e-14 2.72370025536e-14 5.159008718975999e-14 ] [ -8.010883104e-16 -3.636940929216e-14 -3.268440306432e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.716098 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.197561154420164e-18 } }