{ "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" [ [ 2.539099 2.604661 3.099024 ] [ 2.611969 4.601789 1.586924 ] [ 4.376067 2.909228 1.297188 ] [ 4.596034 1.971363 3.954157 ] [ 4.509814 4.398854 3.387028 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.539099e-10 2.604661e-10 3.099024e-10 ] [ 2.611969e-10 4.601789e-10 1.586924e-10 ] [ 4.376067e-10 2.909228e-10 1.297188e-10 ] [ 4.596034e-10 1.971363e-10 3.954157e-10 ] [ 4.509814000000001e-10 4.398854e-10 3.387028e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.2836784 0.4627139 -0.5313045 ] [ 0.9616833 -0.8728083 0.785016 ] [ -0.4434867 0.4956088 0.7751102 ] [ 0.2573316 0.7167785 -0.350444 ] [ -0.4918498 -0.8022929 -0.6783778 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.545029003059507e-10 7.413493926991892e-10 -8.512436484258336e-10 ] [ 1.540786499873793e-09 -1.398393052700193e-09 1.257734282153933e-09 ] [ -7.105440223757435e-10 7.940528324227431e-10 1.241863440983612e-09 ] [ 4.122906733130573e-10 1.148405754992093e-09 -5.614731836996351e-10 ] [ -7.880302505051559e-10 -1.285414927413832e-09 -1.086881051229738e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -4.399081399234948 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.048105370850385e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.3527399 2.3022736 2.7463151 ] [ 2.7257501 4.5136823 2.030545 ] [ 4.3236452 2.8360647 1.5514276 ] [ 4.4289051 2.3112441 3.8559272 ] [ 4.8019428 4.5226303 3.1401061 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3527399e-10 2.3022736e-10 2.7463151e-10 ] [ 2.7257501e-10 4.5136823e-10 2.030545e-10 ] [ 4.3236452e-10 2.8360647e-10 1.5514276e-10 ] [ 4.4289051e-10 2.3112441e-10 3.8559272e-10 ] [ 4.8019428e-10 4.522630300000001e-10 3.1401061e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.42e-05 7.1e-06 4.11e-05 ] [ 2.4e-06 -1.11e-05 -2.94e-05 ] [ 3.23e-05 -1.16e-05 -2.46e-05 ] [ 2.26e-05 -1.31e-05 -3.08e-05 ] [ -3e-06 2.87e-05 4.37e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.683797284736e-14 1.137545400768e-14 6.584945911488e-14 ] [ 3.84522388992e-15 -1.778416049088e-14 -4.710399265152e-14 ] [ 5.175030485184e-14 -1.858524880128e-14 -3.941354487168e-14 ] [ 3.620919163008e-14 -2.098851373248e-14 -4.934703992064001e-14 ] [ -4.8065298624e-15 4.598246901696e-14 7.001511832895999e-14 ] ] } "relaxed-potential-energy" { "source-value" -5.34072039923495 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.55677736188388e-19 } }