{ "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" [ [ 2.176849 1.681974 3.211274 ] [ 2.864727 5.809081 2.248654 ] [ 2.905691 3.612446 1.71083 ] [ 4.50356 2.090932 1.710731 ] [ 5.648677 2.904188 3.876429 ] [ 4.83518 4.522991 2.188517 ] [ 3.438619 4.083879 4.381538 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.176849e-10 1.681974e-10 3.211274e-10 ] [ 2.864727e-10 5.809081e-10 2.248654e-10 ] [ 2.905691e-10 3.612446e-10 1.71083e-10 ] [ 4.503560000000001e-10 2.090932e-10 1.710731e-10 ] [ 5.648677e-10 2.904188e-10 3.876429e-10 ] [ 4.835180000000001e-10 4.522991000000001e-10 2.188517e-10 ] [ 3.438619e-10 4.083879e-10 4.381538e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.2274698 2.5915516 -0.7677543 ] [ 0.231769 0.0016173 1.1485208 ] [ -3.2039968 -1.5599118 -0.1588883 ] [ 0.2010841 -0.5986827 1.8144609 ] [ -1.4527128 0.5591302 -0.8346059 ] [ 1.9675171 0.4142396 0.6127524 ] [ 0.0288696 -1.4079443 -1.8144857 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.568800037098052e-09 4.152123385116833e-09 -1.23007798997867e-09 ] [ 3.713348732261952e-10 2.59120024881984e-12 1.840133174262513e-09 ] [ -5.133368766078013e-09 -2.499254216470045e-09 -2.545671195786567e-10 ] [ 3.221722438346092e-10 -9.591954252174202e-10 2.907086833335727e-09 ] [ -2.327502484896906e-09 8.958253344232283e-10 -1.337186060561743e-09 ] [ 3.152309898644216e-09 6.636850025295436e-10 9.817375696190898e-10 ] [ 4.625419817184768e-11 -2.255775440848622e-09 -2.907126567315922e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.821774 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.17579828855813e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.504561 2.1022258 3.2402343 ] [ 3.1474179 5.2794438 2.5946092 ] [ 2.4145628 3.4685795 1.3378076 ] [ 4.4616957 2.2450335 1.8064209 ] [ 5.3487884 3.170233 3.8712781 ] [ 5.2571713 4.535967 1.9684938 ] [ 3.2391059 3.9040083 4.5091291 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.504561e-10 2.1022258e-10 3.2402343e-10 ] [ 3.147417900000001e-10 5.2794438e-10 2.5946092e-10 ] [ 2.4145628e-10 3.4685795e-10 1.3378076e-10 ] [ 4.4616957e-10 2.2450335e-10 1.8064209e-10 ] [ 5.3487884e-10 3.170233e-10 3.8712781e-10 ] [ 5.257171300000001e-10 4.535967e-10 1.9684938e-10 ] [ 3.2391059e-10 3.9040083e-10 4.5091291e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.68e-05 6.66e-05 1.31e-05 ] [ -2.86e-05 6.9e-06 -6.54e-05 ] [ -1.35e-05 -1.63e-05 3.18e-05 ] [ -1.92e-05 2.74e-05 -3e-05 ] [ -5.9e-06 -5.79e-05 4.08e-05 ] [ 2.2e-05 1.05e-05 -3.5e-06 ] [ -2.16e-05 -3.71e-05 1.33e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.0702539826944e-13 1.0670496294528e-13 2.098851373248e-14 ] [ -4.582225135488e-14 1.105501868352e-14 -1.0478235100032e-13 ] [ -2.16293843808e-14 -2.611547891904e-14 5.094921654144e-14 ] [ -3.076179111936e-14 4.389963940992e-14 -4.8065298624e-14 ] [ -9.45284206272e-15 -9.276602634432e-14 6.536880612864e-14 ] [ 3.52478856576e-14 1.68228545184e-14 -5.6076181728e-15 ] [ -3.460701500928e-14 -5.944075263168e-14 2.130894905664e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.96247 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.678993258982137e-18 } }