{ "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" [ [ 2.872342 2.592209 3.748836 ] [ 1.410068 4.838391 2.869154 ] [ 2.889421 3.430048 1.520903 ] [ 4.604684 2.417867 2.466033 ] [ 4.898299 2.012755 4.844446 ] [ 5.379024 4.52793 1.309626 ] [ 5.720081 4.239448 3.464417 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.872342e-10 2.592209e-10 3.748836e-10 ] [ 1.410068e-10 4.838391e-10 2.869154e-10 ] [ 2.889421e-10 3.430048e-10 1.520903e-10 ] [ 4.604684e-10 2.417867e-10 2.466033e-10 ] [ 4.898299e-10 2.012755e-10 4.844446e-10 ] [ 5.379024e-10 4.52793e-10 1.309626e-10 ] [ 5.720081000000001e-10 4.239448000000001e-10 3.464417e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.9453325 1.284088 4.0478333 ] [ 0.7242169 -1.0296872 0.5054741 ] [ -2.9841247 3.1386214 -3.9886896 ] [ 6.2457665 -5.8628447 -3.7944421 ] [ 1.6406984 0.6673194 1.9341855 ] [ -0.7482708 1.4417573 -3.1984286 ] [ 1.0670462 0.3607459 4.4940674 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.525472734382417e-09 2.05733577264983e-09 6.485343878155712e-09 ] [ 1.160323385568252e-09 -1.649740758577014e-09 8.098587854399214e-10 ] [ -4.781094827891814e-09 5.028625828622565e-09 -6.390585224748103e-09 ] [ 1.000682106527584e-08 -9.393312709721191e-09 -6.079366421599256e-09 ] [ 2.628688618263967e-09 1.069163541286284e-09 3.098906788390358e-09 ] [ -1.198861981787313e-09 2.309949838927732e-09 -5.124447526218075e-09 ] [ 1.709596474953481e-09 5.779786470294548e-10 7.200289720579441e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.819914 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.855064959546661e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.687687 2.4266539 3.6954196 ] [ 2.1422614 4.8583711 3.390929 ] [ 3.0093383 3.6644413 1.3596357 ] [ 4.8862122 2.0006595 2.2544216 ] [ 4.9699542 2.3517225 4.7390091 ] [ 5.4545531 4.2165695 1.2199215 ] [ 4.6239127 4.5402303 3.5640785 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.687687e-10 2.4266539e-10 3.6954196e-10 ] [ 2.1422614e-10 4.8583711e-10 3.390929e-10 ] [ 3.0093383e-10 3.6644413e-10 1.3596357e-10 ] [ 4.886212200000001e-10 2.0006595e-10 2.2544216e-10 ] [ 4.9699542e-10 2.3517225e-10 4.7390091e-10 ] [ 5.4545531e-10 4.2165695e-10 1.2199215e-10 ] [ 4.6239127e-10 4.540230300000001e-10 3.5640785e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0 2.28e-05 -1.36e-05 ] [ 1.39e-05 -1.26e-05 3.1e-06 ] [ 1.09e-05 -4.6e-06 1.8e-05 ] [ -6.1e-06 3.22e-05 -1.99e-05 ] [ 1.19e-05 -7.3e-06 2.45e-05 ] [ -8.2e-06 -1.62e-05 2.64e-05 ] [ -2.25e-05 -1.43e-05 -3.85e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 3.652962695424e-14 -2.178960204288e-14 ] [ 2.227025502912e-14 -2.018742542208e-14 4.96674752448e-15 ] [ 1.746372516672e-14 -7.370012455680001e-15 2.88391791744e-14 ] [ -9.77327738688e-15 5.159008718975999e-14 -3.188331475392e-14 ] [ 1.906590178752e-14 -1.169588933184e-14 3.92533272096e-14 ] [ -1.313784829056e-14 -2.595526125696e-14 4.229746278912e-14 ] [ -3.604897396800001e-14 -2.291112567744e-14 -6.16837999008e-14 ] ] } "relaxed-potential-energy" { "source-value" -23.608362 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.782476565178313e-18 } }