{ "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" [ [ 2.512586 2.352376 3.000619 ] [ 5.747731 2.138199 1.702882 ] [ 4.441387 1.564453 3.266826 ] [ 5.259627 4.180433 2.034508 ] [ 3.39507 3.451757 1.390248 ] [ 4.402652 3.245897 4.59308 ] [ 3.137856 4.41534 3.36482 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.512586e-10 2.352376e-10 3.000619e-10 ] [ 5.747731e-10 2.138199e-10 1.702882e-10 ] [ 4.441387e-10 1.564453e-10 3.266826e-10 ] [ 5.259627e-10 4.180433e-10 2.034508e-10 ] [ 3.39507e-10 3.451757e-10 1.390248e-10 ] [ 4.402652e-10 3.245897e-10 4.59308e-10 ] [ 3.137856000000001e-10 4.41534e-10 3.36482e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.7865633 -1.7638586 0.4955831 ] [ 1.518184 -1.2706698 -1.893857 ] [ 1.3990222 -4.9538978 1.5054826 ] [ 1.9676002 3.4304776 0.985792 ] [ -1.550084 -0.0847409 -4.3269795 ] [ 1.78547 0.572002 2.8989601 ] [ -1.3336292 4.0706875 0.3350186 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.066743242421931e-09 -2.826013034599952e-09 7.940116630252853e-10 ] [ 2.432398930912656e-09 -2.035837463089453e-09 -3.034293433537338e-09 ] [ 2.241480679287274e-09 -7.937019302384004e-09 2.412049044613568e-09 ] [ 3.152443065493726e-09 5.496231054180398e-09 1.579412908384128e-09 ] [ -2.483508365537256e-09 -1.357698899241306e-10 -6.932585450697002e-09 ] [ 2.86063831470798e-09 9.16448239001268e-10 4.644646135118303e-09 ] [ -2.136709542660113e-09 6.521960396815874e-09 5.367589728753924e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -19.980569 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.201240078582474e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3695385 2.1957424 2.9615565 ] [ 5.3404366 2.3690135 1.5229187 ] [ 4.476046 1.360753 3.4727599 ] [ 5.5780261 4.3728431 2.6736493 ] [ 3.2283188 3.1973335 1.0241418 ] [ 4.719032 3.371107 4.610895 ] [ 3.1855109 4.4816625 3.0870617 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3695385e-10 2.1957424e-10 2.9615565e-10 ] [ 5.3404366e-10 2.3690135e-10 1.5229187e-10 ] [ 4.476046000000001e-10 1.360753e-10 3.4727599e-10 ] [ 5.5780261e-10 4.3728431e-10 2.6736493e-10 ] [ 3.2283188e-10 3.1973335e-10 1.0241418e-10 ] [ 4.719032000000001e-10 3.371107e-10 4.610895000000001e-10 ] [ 3.1855109e-10 4.4816625e-10 3.0870617e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.8e-05 -8.3e-06 -3.33e-05 ] [ 3.69e-05 -1.28e-05 2.2e-06 ] [ 2.91e-05 -1.84e-05 8.9e-06 ] [ 3.2e-06 -1.28e-05 1.8e-05 ] [ -4.25e-05 2.38e-05 2.54e-05 ] [ 1.06e-05 3.75e-05 -1.66e-05 ] [ 1.06e-05 -9e-06 -4.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.690447843199999e-14 -1.32980660622e-14 -5.33524819122e-14 ] [ 5.91203177946e-14 -2.05078609152e-14 3.5247885948e-15 ] [ 4.66233400494e-14 -2.94800500656e-14 1.42593720426e-14 ] [ 5.1269652288e-15 -2.05078609152e-14 2.8839179412e-14 ] [ -6.8092506945e-14 3.81318038892e-14 4.06952865036e-14 ] [ 1.69830723204e-14 6.008162377499999e-14 -2.65961321244e-14 ] [ 1.69830723204e-14 -1.4419589706e-14 -7.370012516399999e-15 ] ] } "relaxed-potential-energy" { "source-value" -22.96247 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.678993289292598e-18 } }