{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.689863 2.613928 1.941703 ] [ 2.080356 5.103994 1.950756 ] [ 1.651882 3.89841 3.770183 ] [ 3.604737 2.326315 3.946353 ] [ 4.359532 3.977463 2.369793 ] [ 3.455978 5.487629 3.928773 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.689863e-10 2.613928e-10 1.941703e-10 ] [ 2.080356e-10 5.103994e-10 1.950756e-10 ] [ 1.651882e-10 3.89841e-10 3.770183e-10 ] [ 3.604737e-10 2.326315e-10 3.946353e-10 ] [ 4.359532e-10 3.977463000000001e-10 2.369793e-10 ] [ 3.455978e-10 5.487629000000001e-10 3.928773e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.2857457 -4.1116211 -5.8892908 ] [ -1.260365 3.3681259 -4.7456029 ] [ -3.087804 -1.8899578 4.6346042 ] [ 1.6377845 -2.3793239 4.7133172 ] [ 5.814695 2.4077554 -1.0152277 ] [ 1.1814353 2.6050215 2.3022 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.866521619805973e-09 -6.587543254281376e-09 -9.435684110591167e-09 ] [ -2.01932735331141e-09 5.396332617350219e-09 -7.603294080622637e-09 ] [ -4.947207419171736e-09 -3.028046226406045e-09 7.425454557078262e-09 ] [ 2.624020057427372e-09 -3.812097157297752e-09 7.551566686470303e-09 ] [ 9.31616846283663e-09 3.857649442267323e-09 -1.626574099129562e-09 ] [ 1.89286803224278e-09 4.173704578367631e-09 3.688531046794799e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.163934 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.628441756431815e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3975478 2.5420373 1.7211068 ] [ 2.1708307 5.1312244 1.7123667 ] [ 1.7949997 3.8016184 4.0332921 ] [ 3.6599413 2.0622994 3.9487826 ] [ 4.4896896 4.032586 2.555982 ] [ 3.3293387 5.8379734 3.9360307 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3975478e-10 2.5420373e-10 1.7211068e-10 ] [ 2.1708307e-10 5.1312244e-10 1.7123667e-10 ] [ 1.7949997e-10 3.8016184e-10 4.0332921e-10 ] [ 3.6599413e-10 2.0622994e-10 3.9487826e-10 ] [ 4.4896896e-10 4.032586e-10 2.555982e-10 ] [ 3.3293387e-10 5.8379734e-10 3.9360307e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6e-06 8.6e-06 7.4e-06 ] [ -2.09e-05 2.29e-05 -4.38e-05 ] [ -1.67e-05 -8.8e-06 5.71e-05 ] [ 1e-07 -2.3e-06 -2.94e-05 ] [ 5.07e-05 -3.55e-05 1.3e-05 ] [ -1.92e-05 1.51e-05 -4.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.613059803999999e-15 1.37787190524e-14 1.18561070916e-14 ] [ -3.34854916506e-14 3.66898449186e-14 -7.01753365692e-14 ] [ -2.67563497878e-14 -1.40991543792e-14 9.148428580139999e-14 ] [ 1.602176634e-16 -3.685006258199999e-15 -4.710399303959999e-14 ] [ 8.123035534379999e-14 -5.6877270507e-14 2.082829624199999e-14 ] [ -3.076179137279999e-14 2.41928671734e-14 -6.729141862799999e-15 ] ] } "relaxed-potential-energy" { "source-value" -13.22977 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.119642836719418e-18 } }