{ "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" [ [ 2.851893 1.689536 1.360291 ] [ 1.367517 2.93292 5.4803 ] [ 1.756353 1.339195 3.328571 ] [ 1.204701 3.536746 3.011508 ] [ 3.888723 1.68848 3.240915 ] [ 3.83892 3.544284 1.733331 ] [ 3.269318 3.65155 3.991072 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.851893e-10 1.689536e-10 1.360291e-10 ] [ 1.367517e-10 2.93292e-10 5.4803e-10 ] [ 1.756353e-10 1.339195e-10 3.328571e-10 ] [ 1.204701e-10 3.536746e-10 3.011508e-10 ] [ 3.888723e-10 1.68848e-10 3.240915e-10 ] [ 3.83892e-10 3.544284e-10 1.733331e-10 ] [ 3.269318e-10 3.65155e-10 3.991072e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.4789252 -1.1206036 -10.5037464 ] [ -1.5577612 0.2374924 3.6493024 ] [ -8.773588 -7.3198137 2.687425 ] [ -4.9127093 3.2959201 -3.3282503 ] [ 10.2690484 -10.267712 9.9401199 ] [ 0.4231471 8.3926468 -9.6570358 ] [ 5.0307881 6.7820701 7.2121851 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.673227585519642e-10 -1.795404889104315e-09 -1.682885691289217e-08 ] [ -2.495808575429353e-09 3.805047708976819e-10 5.84682698750933e-09 ] [ -1.405683757413143e-08 -1.172763437875155e-08 4.305729505153441e-09 ] [ -7.871027985246735e-09 5.280646128244797e-09 -5.332444818830587e-09 ] [ 1.645282926434365e-08 -1.645068811550761e-08 1.592582771172883e-08 ] [ 6.779563907793197e-10 1.344650248959193e-08 -1.547227698498862e-08 ] [ 8.060211078018852e-09 1.086607415484672e-08 1.155519435210211e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -6.5583612 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.050765298540183e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.1278924 1.5719793 1.77329 ] [ 1.5112851 2.9243806 5.7110903 ] [ 0.7498344 1.1085317 2.5215986 ] [ 1.2314942 3.4984027 3.258351 ] [ 4.4569214 1.4447145 3.8941175 ] [ 3.495833 4.0112154 1.191515 ] [ 3.6041644 3.8234869 3.7960256 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.1278924e-10 1.5719793e-10 1.77329e-10 ] [ 1.5112851e-10 2.9243806e-10 5.7110903e-10 ] [ 7.498344e-11 1.1085317e-10 2.5215986e-10 ] [ 1.2314942e-10 3.4984027e-10 3.258351e-10 ] [ 4.4569214e-10 1.4447145e-10 3.8941175e-10 ] [ 3.495833e-10 4.0112154e-10 1.191515e-10 ] [ 3.6041644e-10 3.8234869e-10 3.7960256e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.85e-05 3.9e-05 -6.1e-06 ] [ 1.07e-05 7.9e-06 2.21e-05 ] [ -6.4e-06 5.5e-06 -4.27e-05 ] [ 2.94e-05 -2.1e-06 7.06e-05 ] [ -1.74e-05 2.17e-05 1.39e-05 ] [ 9.7e-06 -4.28e-05 -5.22e-05 ] [ -5.43e-05 -2.92e-05 -5.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.56620336928e-14 6.248488821120001e-14 -9.77327738688e-15 ] [ 1.714328984256e-14 1.265719530432e-14 3.540810331968e-14 ] [ -1.025393037312e-14 8.8119714144e-15 -6.841294170816001e-14 ] [ 4.710399265152e-14 -3.36457090368e-15 1.1311366942848e-13 ] [ -2.787787320192e-14 3.476723267136e-14 2.227025502912e-14 ] [ 1.554111322176e-14 -6.857315937023999e-14 -8.363361960576001e-14 ] [ -8.699819050944e-14 -4.678355732736e-14 -8.972189076479999e-15 ] ] } "relaxed-potential-energy" { "source-value" -17.498989 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.803647106343638e-18 } }