{ "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" [ [ 1.1028 0.2583089 1.436622 ] [ 0.0542075 1.282802 2.764068 ] [ 0.3917807 2.567162 0.7355983 ] [ 2.495357 1.268739 0.0869323 ] [ 2.96001 0.2024969 2.578704 ] [ 2.541972 2.542294 2.28683 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1028e-10 2.583089e-11 1.436622e-10 ] [ 5.42075e-12 1.282802e-10 2.764068e-10 ] [ 3.917807e-11 2.567162e-10 7.355983000000001e-11 ] [ 2.495357e-10 1.268739e-10 8.693230000000001e-12 ] [ 2.96001e-10 2.024969e-11 2.578704e-10 ] [ 2.541972e-10 2.542294e-10 2.28683e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 34.1758149 -85.2692986 -72.0698493 ] [ -60.5930886 64.4349372 77.1770364 ] [ -5.8266363 8.8467629 -1.6934113 ] [ 15.8404012 11.2969367 -17.3192837 ] [ 16.146208 -6.4762237 11.3838231 ] [ 0.2573009 7.1668855 2.5216848 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.475569162956829e-08 -1.366164766889342e-07 -1.154686276130393e-07 ] [ -9.7080829936983e-08 1.032361499445562e-07 1.236512433827106e-07 ] [ -9.335300457764615e-09 1.417407668814081e-08 -2.713143994258535e-09 ] [ 2.537912046673227e-08 1.80996878673975e-08 -2.774855143314252e-08 ] [ 2.586907697217393e-08 -1.037605420321087e-08 1.823889522614298e-08 ] [ 4.122414864907987e-10 1.148261639205052e-08 4.040184431586724e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 5.5982866 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 8.969443907057922e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.1324323 -0.0067089 1.2927329 ] [ -0.030867 1.6386207 3.0560659 ] [ 0.2420081 2.5634624 0.5623292 ] [ 2.6058866 1.6130387 -0.2483956 ] [ 3.1593535 -0.0528847 2.9104463 ] [ 2.4373137 2.3662746 2.3155759 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1324323e-10 -6.708900000000001e-13 1.2927329e-10 ] [ -3.0867e-12 1.6386207e-10 3.0560659e-10 ] [ 2.420081e-11 2.5634624e-10 5.623292e-11 ] [ 2.6058866e-10 1.6130387e-10 -2.483956e-11 ] [ 3.1593535e-10 -5.28847e-12 2.9104463e-10 ] [ 2.4373137e-10 2.3662746e-10 2.3155759e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5e-07 -5.5e-06 -8.3e-06 ] [ -2.8e-06 5.8e-06 -6.1e-06 ] [ -8.9e-06 -2e-07 8.9e-06 ] [ 2.2e-06 -2.9e-06 8.2e-06 ] [ -1e-07 6.7e-06 -8e-07 ] [ 9.1e-06 -3.8e-06 -1.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.010883104e-16 -8.8119714144e-15 -1.329806595264e-14 ] [ -4.48609453824e-15 9.292624400640001e-15 -9.77327738688e-15 ] [ -1.425937192512e-14 -3.2043532416e-16 1.425937192512e-14 ] [ 3.52478856576e-15 -4.646312200320001e-15 1.313784829056e-14 ] [ -1.6021766208e-16 1.073458335936e-14 -1.28174129664e-15 ] [ 1.457980724928e-14 -6.08827115904e-15 -3.04413557952e-15 ] ] } "relaxed-potential-energy" { "source-value" -20.469338 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.279549478685303e-18 } }