{ "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" [ [ 1.492003 2.387549 2.170669 ] [ 2.788135 3.420279 0.7006935 ] [ 2.516882 3.82705 3.771673 ] [ 3.610971 1.743132 2.445693 ] [ 4.42605 4.234183 2.406002 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.492003e-10 2.387549e-10 2.170669e-10 ] [ 2.788135e-10 3.420279e-10 7.006935e-11 ] [ 2.516882e-10 3.82705e-10 3.771673e-10 ] [ 3.610971e-10 1.743132e-10 2.445693e-10 ] [ 4.42605e-10 4.234183e-10 2.406002e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.0260444 -0.2813239 1.1665522 ] [ 1.8910858 1.0332126 -1.3937256 ] [ 0.2187555 -0.7583921 0.1100565 ] [ 2.312084 0.6552918 0.6586788 ] [ -0.3958808 -0.6487884 -0.541562 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.450434265126549e-09 -4.507305791657526e-10 1.869022677181295e-09 ] [ 3.029853481649197e-09 1.655389085674388e-09 -2.23299459052763e-09 ] [ 3.50484950658987e-10 -1.215078102030191e-09 1.76329952719821e-10 ] [ 3.704366960645256e-09 1.049893210411801e-09 1.055319782671159e-09 ] [ -6.342709676092272e-10 -1.039473614890246e-09 -8.676779822623079e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -13.074441 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.094756387281159e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.3078757 2.5711867 2.1747451 ] [ 2.9718381 3.2673378 0.5524012 ] [ 2.6088401 3.5946136 3.9482957 ] [ 3.6727012 1.8882598 2.493346 ] [ 4.2727858 4.2907951 2.3259425 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.3078757e-10 2.5711867e-10 2.1747451e-10 ] [ 2.9718381e-10 3.2673378e-10 5.524012000000001e-11 ] [ 2.6088401e-10 3.5946136e-10 3.9482957e-10 ] [ 3.6727012e-10 1.8882598e-10 2.493346e-10 ] [ 4.2727858e-10 4.290795100000001e-10 2.3259425e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.53e-05 -1.64e-05 -7.9e-06 ] [ -1.7e-05 -1.24e-05 2.59e-05 ] [ 2.46e-05 8.6e-06 -4.94e-05 ] [ 5e-06 2.1e-06 -7.2e-06 ] [ 2.28e-05 1.8e-05 3.85e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.655683518019999e-14 -2.62756967976e-14 -1.26571954086e-14 ] [ -2.723700277799999e-14 -1.98669902616e-14 4.149637482059999e-14 ] [ 3.94135451964e-14 1.37787190524e-14 -7.91475257196e-14 ] [ 8.010883169999999e-15 3.364570931399999e-15 -1.15356717648e-14 ] [ 3.65296272552e-14 2.8839179412e-14 6.168380040899999e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.867937 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.221888462318406e-18 } }