{ "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" [ [ -0.6669057 -3.7999583 -5.5332407 ] [ -0.4975442 0.119306 1.7871099 ] [ -4.3673977 -5.5410607 0.7582323 ] [ -5.6575535 3.6408001 -0.4621646 ] [ 5.0492739 -3.864165 2.1499597 ] [ 3.2578513 4.0740484 -3.0617181 ] [ 2.882276 5.3710295 4.3618215 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.068500720818259e-09 -6.088204348274913e-09 -8.865228886799028e-09 ] [ -7.971536850546394e-10 1.911492839211648e-10 2.863265700580226e-09 ] [ -6.997342488675692e-09 -8.877757907973683e-09 1.214822064195412e-09 ] [ -9.064399948625213e-09 5.833204801226303e-09 -7.404693170813836e-10 ] [ 8.089828594595637e-09 -6.191074821913632e-09 3.444615167002182e-09 ] [ 5.219653186902887e-09 6.527345098487646e-09 -4.905413159300197e-09 ] [ 4.617915221892941e-09 8.605337894527113e-09 6.988408431402787e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -13.024143 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.086697742055598e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4999636 1.6908955 1.2554879 ] [ 0.5130117 2.3714606 4.2797938 ] [ 2.15858 0.8865548 3.4530903 ] [ 1.0869882 4.4616309 3.2263056 ] [ 4.1788706 1.4890299 4.526276 ] [ 2.987169 3.903943 1.9322556 ] [ 4.7528418 3.5791963 3.4727789 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4999636e-10 1.6908955e-10 1.2554879e-10 ] [ 5.130117e-11 2.3714606e-10 4.2797938e-10 ] [ 2.15858e-10 8.865548e-11 3.4530903e-10 ] [ 1.0869882e-10 4.461630900000001e-10 3.2263056e-10 ] [ 4.1788706e-10 1.4890299e-10 4.526276e-10 ] [ 2.987169e-10 3.903943e-10 1.9322556e-10 ] [ 4.752841799999999e-10 3.5791963e-10 3.4727789e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.63e-05 6.7e-06 2.3e-06 ] [ 1.65e-05 -1.2e-05 -2.9e-06 ] [ 2.7e-06 9.8e-06 7.2e-06 ] [ -6.7e-06 -2.1e-06 -6.2e-06 ] [ -1.1e-05 -7.8e-06 1.6e-06 ] [ 1.6e-05 -1.9e-06 -2.4e-06 ] [ -1.2e-06 7.3e-06 5e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.611547891904e-14 1.073458335936e-14 3.68500622784e-15 ] [ 2.64359142432e-14 -1.92261194496e-14 -4.646312200320001e-15 ] [ 4.32587687616e-15 1.570133088384e-14 1.153567166976e-14 ] [ -1.073458335936e-14 -3.36457090368e-15 -9.93349504896e-15 ] [ -1.76239428288e-14 -1.249697764224e-14 2.56348259328e-15 ] [ 2.56348259328e-14 -3.04413557952e-15 -3.84522388992e-15 ] [ -1.92261194496e-15 1.169588933184e-14 8.010883104e-16 ] ] } "relaxed-potential-energy" { "source-value" -21.442861 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.435525057726411e-18 } }