{ "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" [ [ 3.568800066500653e-09 4.152123419325314e-09 -1.230078000113026e-09 ] [ 3.71334876285546e-10 2.5912002701682e-12 1.840133189422987e-09 ] [ -5.13336880837077e-09 -2.499254237060881e-09 -2.545671216759822e-10 ] [ 3.221722464889193e-10 -9.591954331200317e-10 2.90708685728661e-09 ] [ -2.327502504072715e-09 8.958253418037468e-10 -1.337186071578541e-09 ] [ 3.152309924615441e-09 6.636850079975064e-10 9.817375777074215e-10 ] [ 4.625419855292639e-11 -2.255775459433486e-09 -2.907126591267134e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.821774 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.175798314722872e-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" [ [ 1.070253991512e-13 1.067049638244e-13 2.09885139054e-14 ] [ -4.58222517324e-14 1.10550187746e-14 -1.047823518636e-13 ] [ -2.162938455899999e-14 -2.61154791342e-14 5.09492169612e-14 ] [ -3.076179137279999e-14 4.389963977159999e-14 -4.806529901999999e-14 ] [ -9.452842140600001e-15 -9.276602710859999e-14 6.53688066672e-14 ] [ 3.5247885948e-14 1.6822854657e-14 -5.607618218999999e-15 ] [ -3.46070152944e-14 -5.94407531214e-14 2.13089492322e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.96247 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.678993289292598e-18 } }