{ "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" [ [ 1.570546 2.153895 2.543093 ] [ 2.524346 2.661693 4.212043 ] [ 2.241813 4.238266 2.673997 ] [ 3.729345 1.325386 1.859362 ] [ 4.629957 2.667135 3.458757 ] [ 3.970969 3.734581 1.387215 ] [ 4.050613 4.976756 3.428708 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.570546e-10 2.153895e-10 2.543093e-10 ] [ 2.524346e-10 2.661693e-10 4.212043000000001e-10 ] [ 2.241813e-10 4.238266e-10 2.673997e-10 ] [ 3.729345e-10 1.325386e-10 1.859362e-10 ] [ 4.629957e-10 2.667135e-10 3.458757e-10 ] [ 3.970969e-10 3.734581e-10 1.387215e-10 ] [ 4.050613e-10 4.976756e-10 3.428708e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.388802 -6.715577 0.900187 ] [ -2.5649769 -6.6272757 7.8996159 ] [ -7.2646895 13.8972744 -5.3231277 ] [ -0.2235844 -3.8621218 -3.7688987 ] [ 7.4223771 -3.1683258 6.570021 ] [ 2.7749725 -0.7244928 -12.899318 ] [ 3.2447032 7.2005189 6.6215203 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.429459381652468e-09 -1.075954055322782e-08 1.442258577630558e-09 ] [ -4.109546055929754e-09 -1.061806627361599e-08 1.265658001255488e-08 ] [ -1.163931577016514e-08 2.226588831996637e-08 -8.52859082073816e-09 ] [ -3.582217014069095e-10 -6.187801305622021e-09 -6.038441433052975e-09 ] [ 1.189195915835668e-08 -5.076217565659357e-09 1.052633413108931e-08 ] [ 4.445996099492565e-09 -1.160765435661235e-09 -2.066698589413561e-08 ] [ 5.198587651305028e-09 1.153650313425538e-08 1.060884510621667e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -7.3323603 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.174773634472923e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.5755437 2.2010716 2.6717317 ] [ 2.4992189 2.4405566 4.9952793 ] [ 2.0308249 4.513348 2.1119123 ] [ 3.8156155 1.6225881 1.7487649 ] [ 4.7853668 2.4113637 3.8235527 ] [ 4.032393 3.8648646 0.6376519 ] [ 3.9786262 4.7039194 3.5742821 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5755437e-10 2.2010716e-10 2.6717317e-10 ] [ 2.4992189e-10 2.4405566e-10 4.9952793e-10 ] [ 2.0308249e-10 4.513348e-10 2.1119123e-10 ] [ 3.8156155e-10 1.6225881e-10 1.7487649e-10 ] [ 4.785366800000001e-10 2.4113637e-10 3.8235527e-10 ] [ 4.032393e-10 3.8648646e-10 6.376519e-11 ] [ 3.9786262e-10 4.7039194e-10 3.5742821e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5e-06 -1.22e-05 2.31e-05 ] [ 2.9e-06 -2.18e-05 -3.04e-05 ] [ -6.23e-05 2.35e-05 -8.5e-06 ] [ 2.21e-05 1.5e-06 2.49e-05 ] [ -3.38e-05 -3.5e-06 -2.3e-06 ] [ 1.69e-05 6.9e-06 2.35e-05 ] [ 5.92e-05 5.4e-06 -3.03e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.010883169999999e-15 -1.95465549348e-14 3.70102802454e-14 ] [ 4.6463122386e-15 -3.492745062119999e-14 -4.870616967359999e-14 ] [ -9.981560429819998e-14 3.765115089899999e-14 -1.3618501389e-14 ] [ 3.54081036114e-14 2.403264951e-15 3.989419818659999e-14 ] [ -5.415357022919999e-14 -5.607618218999999e-15 -3.685006258199999e-15 ] [ 2.70767851146e-14 1.10550187746e-14 3.765115089899999e-14 ] [ 9.48488567328e-14 8.6517538236e-15 -4.854595201019999e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.714404 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.998378080803613e-18 } }