{ "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" [ [ 2.872342 2.592209 3.748836 ] [ 1.410068 4.838391 2.869154 ] [ 2.889421 3.430048 1.520903 ] [ 4.604684 2.417867 2.466033 ] [ 4.898299 2.012755 4.844446 ] [ 5.379024 4.52793 1.309626 ] [ 5.720081 4.239448 3.464417 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.872342e-10 2.592209e-10 3.748836e-10 ] [ 1.410068e-10 4.838391e-10 2.869154e-10 ] [ 2.889421e-10 3.430048e-10 1.520903e-10 ] [ 4.604684e-10 2.417867e-10 2.466033e-10 ] [ 4.898299e-10 2.012755e-10 4.844446e-10 ] [ 5.379024e-10 4.52793e-10 1.309626e-10 ] [ 5.720081000000001e-10 4.239448000000001e-10 3.464417e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -8.747772 5.0470234 1.5440663 ] [ 3.8883139 -5.5466204 1.5803593 ] [ -0.4412361 3.8868382 -3.2577825 ] [ 3.622556 -5.6640893 -3.7280961 ] [ 2.9694049 1.4350048 2.1966979 ] [ -2.3473653 1.3538774 -3.6002279 ] [ 1.0560986 -0.5120341 5.2649831 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.401547589795944e-08 8.086222962731234e-09 2.473866947206834e-09 ] [ 6.229765676237412e-09 -8.886665602547734e-09 2.532014743784596e-09 ] [ -7.069381694972873e-10 6.227401344178619e-09 -5.219543000154104e-09 ] [ 5.803974578556504e-09 -9.074871529349414e-09 -5.973068460726527e-09 ] [ 4.757511147665106e-09 2.299131160237843e-09 3.519498047336868e-09 ] [ -3.7608938351224e-09 2.169150735580671e-09 -5.768201018454888e-09 ] [ 1.692056500120112e-09 -8.203690708312195e-10 8.435432901224886e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.870317 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.023358097357298e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5677807 2.4093173 3.6053919 ] [ 1.5356059 4.5147628 3.1098582 ] [ 2.9097586 3.6429425 1.3504621 ] [ 4.697365 2.1677881 2.3053722 ] [ 4.61827 2.7959616 4.8615641 ] [ 5.1285215 4.6367206 1.4969775 ] [ 6.3166173 3.891155 3.493789 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5677807e-10 2.4093173e-10 3.6053919e-10 ] [ 1.5356059e-10 4.5147628e-10 3.1098582e-10 ] [ 2.9097586e-10 3.642942500000001e-10 1.3504621e-10 ] [ 4.697365e-10 2.1677881e-10 2.3053722e-10 ] [ 4.61827e-10 2.7959616e-10 4.8615641e-10 ] [ 5.1285215e-10 4.6367206e-10 1.4969775e-10 ] [ 6.3166173e-10 3.891155e-10 3.493789e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.74e-05 -1.2e-05 -8.68e-05 ] [ 4.03e-05 -4.39e-05 -1.28e-05 ] [ 9.8e-06 4.5e-06 6.07e-05 ] [ -7.41e-05 3.3e-05 -2.72e-05 ] [ -9.24e-05 5.87e-05 6.02e-05 ] [ -3.49e-05 -5.79e-05 0.000102 ] [ 0.0001039 1.77e-05 -9.61e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.59431724516e-14 -1.9226119608e-14 -1.390689318312e-13 ] [ 6.456771835019998e-14 -7.03355542326e-14 -2.05078609152e-14 ] [ 1.57013310132e-14 7.209794853e-15 9.725212168379999e-14 ] [ -1.187212885794e-13 5.287182892199999e-14 -4.35792044448e-14 ] [ -1.480411209816e-13 9.404776841579999e-14 9.645103336679999e-14 ] [ -5.59159645266e-14 -9.276602710859999e-14 1.63422016668e-13 ] [ 1.664661522726e-13 2.83585264218e-14 -1.539691745274e-13 ] ] } "relaxed-potential-energy" { "source-value" -23.518896 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.768142562867607e-18 } }