{ "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" [ [ 1.931726 1.779285 1.793394 ] [ 2.022352 0.7174538 3.630998 ] [ 4.124201 0.9725878 2.711634 ] [ 3.467636 2.844975 3.645464 ] [ 5.471294 3.704408 2.165903 ] [ 3.262896 3.451778 1.529715 ] [ 3.831227 5.45457 3.339943 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.931726e-10 1.779285e-10 1.793394e-10 ] [ 2.022352e-10 7.174538e-11 3.630998e-10 ] [ 4.124201e-10 9.725878e-11 2.711634e-10 ] [ 3.467636e-10 2.844975e-10 3.645464e-10 ] [ 5.471294000000001e-10 3.704408e-10 2.165903e-10 ] [ 3.262896e-10 3.451778e-10 1.529715e-10 ] [ 3.831227000000001e-10 5.454570000000001e-10 3.339943e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -29.6835442 -2.2906382 -42.3132262 ] [ -6.2087602 -24.2658438 45.0104402 ] [ 23.4038044 -27.4804809 -13.4459695 ] [ -6.3226333 19.8517741 34.8299218 ] [ 12.4444148 0.6719361 2.4477874 ] [ 6.6922406 33.6946293 -25.2873758 ] [ -0.3255221 -0.1813765 -1.241578 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.755828053972344e-08 -3.670006970751395e-09 -6.779326176826203e-08 ] [ -9.947530436593534e-09 -3.887816762034463e-08 7.211467498035647e-08 ] [ 3.749702824745617e-08 -4.402858402632094e-08 -2.154281797688987e-08 ] [ -1.012997525515155e-08 3.180604834442296e-08 5.580368641225225e-08 ] [ 1.993815045209751e-08 1.076560310091531e-09 3.921787744968818e-09 ] [ 1.072215143008856e-08 5.398474731098267e-08 -4.05148423081437e-08 ] [ -5.215438981737197e-10 -2.905971878625312e-10 -1.989227244499623e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -1.3666159 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.189560044593551e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.0044094 1.4469979 1.349315 ] [ 1.7917763 1.3257295 3.9626879 ] [ 3.943408 0.2529917 2.6547803 ] [ 4.091913 2.6527512 3.7945085 ] [ 5.632874 4.2213087 2.2124156 ] [ 3.1412257 3.743631 1.3372014 ] [ 3.5057257 5.2816475 3.5061424 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0044094e-10 1.4469979e-10 1.349315e-10 ] [ 1.7917763e-10 1.3257295e-10 3.9626879e-10 ] [ 3.943408e-10 2.529917e-11 2.6547803e-10 ] [ 4.091913e-10 2.6527512e-10 3.7945085e-10 ] [ 5.632874e-10 4.2213087e-10 2.2124156e-10 ] [ 3.1412257e-10 3.743631e-10 1.3372014e-10 ] [ 3.5057257e-10 5.2816475e-10 3.5061424e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.09e-05 0.0001057 2.8e-06 ] [ 1.74e-05 -5.88e-05 8e-05 ] [ 9.7e-06 -1.1e-05 -2e-05 ] [ -2.9e-05 -1.46e-05 1.18e-05 ] [ 7.24e-05 -5.39e-05 -2.1e-06 ] [ -1.29e-05 -1.97e-05 -7.71e-05 ] [ -7.85e-05 5.25e-05 4.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.348549137472e-14 1.6935006881856e-13 4.48609453824e-15 ] [ 2.787787320192e-14 -9.420798530304e-14 1.28174129664e-13 ] [ 1.554111322176e-14 -1.76239428288e-14 -3.2043532416e-14 ] [ -4.64631220032e-14 -2.339177866368e-14 1.890568412544e-14 ] [ 1.1599758734592e-13 -8.635731986112e-14 -3.36457090368e-15 ] [ -2.066807840832e-14 -3.156287942976e-14 -1.2352781746368e-13 ] [ -1.257708647328e-13 8.4114272592e-14 7.2097947936e-15 ] ] } "relaxed-potential-energy" { "source-value" -24.016466 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.84786203394381e-18 } }