{ "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" [ [ -4.755828093154622e-08 -3.670007000987818e-09 -6.77932623267966e-08 ] [ -9.947530518549166e-09 -3.887816794065377e-08 7.211467557449427e-08 ] [ 3.749702855638639e-08 -4.402858438906329e-08 -2.154281815437666e-08 ] [ -1.012997533861031e-08 3.180604860646637e-08 5.580368687200722e-08 ] [ 1.993815061636378e-08 1.076560318961087e-09 3.921787777279611e-09 ] [ 1.072215151842614e-08 5.398474775575178e-08 -4.051484264193705e-08 ] [ -5.215439024706113e-10 -2.905971902567009e-10 -1.989227260888452e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -1.3666159 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.18956006263288e-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" [ [ 3.34854916506e-14 1.693500702138e-13 4.486094575199999e-15 ] [ 2.78778734316e-14 -9.420798607919999e-14 1.2817413072e-13 ] [ 1.55411133498e-14 -1.7623942974e-14 -3.204353268e-14 ] [ -4.6463122386e-14 -2.33917788564e-14 1.89056842812e-14 ] [ 1.159975883016e-13 -8.635732057259999e-14 -3.364570931399999e-15 ] [ -2.06680785786e-14 -3.15628796898e-14 -1.235278184814e-13 ] [ -1.25770865769e-13 8.4114273285e-14 7.209794853e-15 ] ] } "relaxed-potential-energy" { "source-value" -24.016466 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.847862065645544e-18 } }