{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.91343 2.805447 1.311156 ] [ 2.653002 2.505168 3.277079 ] [ 1.829519 4.618852 2.376516 ] [ 4.982305 1.900488 2.423676 ] [ 4.143762 3.996307 2.985709 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.91343e-10 2.805447e-10 1.311156e-10 ] [ 2.653002e-10 2.505168e-10 3.277079e-10 ] [ 1.829519e-10 4.618852000000001e-10 2.376516e-10 ] [ 4.982305e-10 1.900488e-10 2.423676e-10 ] [ 4.143762e-10 3.996307e-10 2.985709e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.6942305 0.4610507 -1.3343702 ] [ -1.2641805 -3.3701749 3.9174835 ] [ 2.8632902 -0.6684415 0.5479955 ] [ -3.8135419 1.4989876 -0.8216454 ] [ -1.4797983 2.078578 -2.3094633 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.918809787710137e-09 7.386846586293437e-10 -2.137896755545906e-09 ] [ -2.025440458258437e-09 -5.399615477273286e-09 6.276500527780538e-09 ] [ 4.587496654801186e-09 -1.070961352495911e-09 8.779855856371469e-10 ] [ -6.109967724959964e-09 2.401642907375738e-09 -1.316421061313584e-09 ] [ -2.370898259292922e-09 3.330249103546451e-09 -3.700168136340532e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.908951046368848 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.747806646794202e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.0351462 2.8568618 1.1910939 ] [ 2.559269 2.3401872 3.5349666 ] [ 2.0355126 4.4756004 2.3442252 ] [ 4.7463788 2.0465578 2.3591617 ] [ 4.1457114 4.1070547 2.9446887 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.0351462e-10 2.8568618e-10 1.1910939e-10 ] [ 2.559269e-10 2.3401872e-10 3.5349666e-10 ] [ 2.0355126e-10 4.4756004e-10 2.3442252e-10 ] [ 4.7463788e-10 2.0465578e-10 2.3591617e-10 ] [ 4.1457114e-10 4.1070547e-10 2.9446887e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.79e-05 5.93e-05 2.72e-05 ] [ -8.34e-05 -0.0001024 -2.51e-05 ] [ -8.02e-05 3.05e-05 6.5e-05 ] [ 9.38e-05 -0.0002376 3.77e-05 ] [ 4.19e-05 0.0002503 -0.0001049 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.470072808859999e-14 9.500907439619998e-14 4.35792044448e-14 ] [ -1.336215312756e-13 -1.640628873216e-13 -4.02146335134e-14 ] [ -1.284945660468e-13 4.886638733699999e-14 1.0414148121e-13 ] [ 1.502841682692e-13 -3.806771682384e-13 6.040205910179999e-14 ] [ 6.713120096459999e-14 4.010248114902e-13 -1.680683289066e-13 ] ] } "relaxed-potential-energy" { "source-value" -12.857445046368849 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.059989802623122e-18 } }