{ "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" [ [ 2.669584 2.17361 1.86928 ] [ 2.40373 2.157546 4.053208 ] [ 2.652376 4.1548 1.079323 ] [ 1.859138 4.715654 3.12876 ] [ 4.632592 2.488435 2.820091 ] [ 5.239324 3.537857 1.028061 ] [ 3.752209 4.156911 4.495978 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.669584e-10 2.17361e-10 1.86928e-10 ] [ 2.40373e-10 2.157546e-10 4.053208e-10 ] [ 2.652376e-10 4.1548e-10 1.079323e-10 ] [ 1.859138e-10 4.715654e-10 3.12876e-10 ] [ 4.632592e-10 2.488435e-10 2.820091e-10 ] [ 5.239324e-10 3.537857e-10 1.028061e-10 ] [ 3.752209000000001e-10 4.156911e-10 4.495978e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.6729738 -2.8722229 -0.6997463 ] [ 1.6151601 2.8264773 2.3146173 ] [ -2.5424925 3.9172934 3.3631778 ] [ 9.4925359 -3.0629913 0.6034164 ] [ 1.9698459 -0.5839458 1.4815987 ] [ 0.9909467 0.8229295 -0.9747287 ] [ -9.8530222 -1.0475402 -6.0883353 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.680399509570935e-09 -4.601808380106377e-09 -1.121117162351303e-09 ] [ 2.58777175106899e-09 4.528515849281908e-09 3.70842572415922e-09 ] [ -4.073522042059344e-09 6.276195902294143e-09 5.388404842753578e-09 ] [ 1.520871909108469e-08 -4.907453050573799e-09 9.667796486873011e-10 ] [ 3.156041047558735e-09 -9.355843085743525e-10 2.373782798547673e-09 ] [ 1.587671635198911e-09 1.318478405466633e-09 -1.561687534762777e-09 ] [ -1.578628181306338e-08 -1.678344417788156e-09 -9.754588477251355e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.695588 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.553404441850903e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.003909 1.9838231 1.9138971 ] [ 3.1633184 2.12446 3.8023519 ] [ 2.1116602 4.0590518 1.178068 ] [ 2.4582688 5.3304157 2.9593916 ] [ 5.129329 2.264567 2.795836 ] [ 5.6115591 3.5413671 1.0671777 ] [ 2.7309085 4.0811283 4.7579787 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.003909e-10 1.9838231e-10 1.9138971e-10 ] [ 3.1633184e-10 2.12446e-10 3.802351900000001e-10 ] [ 2.1116602e-10 4.0590518e-10 1.178068e-10 ] [ 2.4582688e-10 5.3304157e-10 2.9593916e-10 ] [ 5.129329e-10 2.264567e-10 2.795836e-10 ] [ 5.6115591e-10 3.5413671e-10 1.0671777e-10 ] [ 2.7309085e-10 4.0811283e-10 4.7579787e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.321172 -0.6844709 -0.2056349 ] [ 0.2742495 -0.0670089 0.4427529 ] [ -0.1256131 1.1047354 0.3288233 ] [ -0.2798884 -0.021261 -0.8813551 ] [ 0.1638266 0.0442405 -0.1739838 ] [ 0.2708588 -0.1909779 0.1121205 ] [ 0.0177387 -0.1852572 0.3772771 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.145742696555776e-10 -1.096643273597935e-09 -3.294634292005459e-10 ] [ 4.393961371660896e-10 -1.073600929655251e-10 7.093683451714003e-10 ] [ -2.012543720862125e-10 1.769981230050136e-09 5.268330036343046e-10 ] [ -4.484306509131187e-10 -3.40638771348288e-11 -1.412086535842846e-09 ] [ 2.624791483851533e-10 7.088109479250241e-11 -2.787527767579431e-10 ] [ 4.33963636897943e-10 -3.059803264694803e-10 1.796368438124064e-10 ] [ 2.842053042338496e-11 -2.968147546748698e-10 6.044645491832237e-10 ] ] } "relaxed-potential-energy" { "source-value" -15.190623 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.433806102598676e-18 } }