{ "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" [ [ 2.428537 1.662164 2.065612 ] [ 2.677805 2.654077 4.303636 ] [ 2.380622 3.799595 2.643621 ] [ 4.65403 2.78928 1.862185 ] [ 4.978196 2.955414 4.623231 ] [ 4.975087 5.409268 1.773954 ] [ 3.793479 4.953224 3.972917 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.428537e-10 1.662164e-10 2.065612e-10 ] [ 2.677805e-10 2.654077e-10 4.303636e-10 ] [ 2.380622e-10 3.799595e-10 2.643621e-10 ] [ 4.65403e-10 2.78928e-10 1.862185e-10 ] [ 4.978196e-10 2.955414e-10 4.623231e-10 ] [ 4.975087000000001e-10 5.409268e-10 1.773954e-10 ] [ 3.793479e-10 4.953223999999999e-10 3.972917e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.1728028 -3.6599055 -1.4951343 ] [ 0.8419075 -5.5456732 7.0318201 ] [ -2.7441797 7.8263743 -6.7511418 ] [ 0.0 0.0 0.0 ] [ 0.6061038 0.3905961 0.7732282 ] [ 0.0 0.0 0.0 ] [ 1.4689712 0.9886083 0.4412278 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.768606084497752e-10 -5.863815074748086e-09 -2.395469240151946e-09 ] [ 1.348884524489355e-09 -8.885148020840009e-09 1.126621785871154e-08 ] [ -4.39666059483713e-09 1.25392340323981e-08 -1.08165216447807e-08 ] [ 0.0 0.0 0.0 ] [ 9.71085346138609e-10 6.258039447515273e-10 1.238848154789879e-09 ] [ 0.0 0.0 0.0 ] [ 2.353551332658941e-09 1.583925118438462e-09 7.069248714312252e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -8.2865921 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.327658423810899e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.0770913 2.1144564 1.4276454 ] [ 2.4154138 2.7515934 5.3284677 ] [ 2.3549007 3.1951379 2.9983712 ] [ 5.946398 2.5430009 1.470686 ] [ 4.6570676 3.4916048 5.0894973 ] [ 4.8220221 6.1821373 2.1926476 ] [ 4.6148625 3.9450913 2.7378407 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0770913e-10 2.1144564e-10 1.4276454e-10 ] [ 2.4154138e-10 2.7515934e-10 5.328467700000001e-10 ] [ 2.3549007e-10 3.1951379e-10 2.9983712e-10 ] [ 5.946398000000001e-10 2.5430009e-10 1.470686e-10 ] [ 4.657067600000001e-10 3.4916048e-10 5.0894973e-10 ] [ 4.8220221e-10 6.1821373e-10 2.1926476e-10 ] [ 4.6148625e-10 3.9450913e-10 2.7378407e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.1e-06 6.9e-06 2.7e-06 ] [ 7.6e-06 3.5e-06 -4.6e-06 ] [ -3.1e-06 1.2e-06 -1.83e-05 ] [ -2.3e-06 -7.1e-06 9.3e-06 ] [ 1.35e-05 -1.2e-06 1e-06 ] [ -1.22e-05 -2e-07 2.6e-06 ] [ -7.5e-06 -3.1e-06 7.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.568924199399999e-15 1.10550187746e-14 4.3258769118e-15 ] [ 1.21765424184e-14 5.607618218999999e-15 -7.370012516399999e-15 ] [ -4.9667475654e-15 1.9226119608e-15 -2.93198324022e-14 ] [ -3.685006258199999e-15 -1.13754541014e-14 1.49002426962e-14 ] [ 2.162938455899999e-14 -1.9226119608e-15 1.602176634e-15 ] [ -1.95465549348e-14 -3.204353268e-16 4.165659248399999e-15 ] [ -1.2016324755e-14 -4.9667475654e-15 1.16958894282e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.3396 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.61789253289064e-18 } }