{ "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" [ [ 1.442259 2.324158 2.548252 ] [ 2.158618 1.41899 4.605472 ] [ 2.34516 4.213318 2.000238 ] [ 2.029556 3.900131 4.500233 ] [ 3.591834 1.471441 2.657937 ] [ 4.338938 2.513725 4.512162 ] [ 5.128703 3.807673 2.402827 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.442259e-10 2.324158e-10 2.548252e-10 ] [ 2.158618e-10 1.41899e-10 4.605472e-10 ] [ 2.34516e-10 4.213318e-10 2.000238e-10 ] [ 2.029556e-10 3.900131e-10 4.500233e-10 ] [ 3.591834e-10 1.471441e-10 2.657937e-10 ] [ 4.338938e-10 2.513725e-10 4.512162e-10 ] [ 5.128703e-10 3.807673e-10 2.402827e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.4849725 -1.2231318 0.1115037 ] [ -0.1029503 0.2663894 0.6031456 ] [ 2.0776144 1.2483795 0.5290829 ] [ 0.658839 -0.6407184 -0.7716711 ] [ 0.8168339 -0.0572495 -1.498444 ] [ 0.2694165 1.5458977 0.177114 ] [ -2.2347809 -1.139567 0.849269 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.379188222030928e-09 -1.959673174117021e-09 1.78648621272697e-10 ] [ -1.649445637643462e-10 4.268028687089395e-10 9.663457792583884e-10 ] [ 3.328705218717419e-09 2.000124448785993e-09 8.476842528450644e-10 ] [ 1.055576442671251e-09 -1.026544040996383e-09 -1.236353395367019e-09 ] [ 1.308712177656885e-09 -9.172381045248961e-11 -2.400771944378035e-09 ] [ 4.316528175577633e-10 2.476801153088492e-09 2.837679100163712e-10 ] [ -3.580513710590383e-09 -1.825787605235194e-09 1.360678936570195e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -23.046348 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.692431996042084e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.5030657 2.3303029 2.4481781 ] [ 2.281974 1.4211514 4.561131 ] [ 2.546333 4.4556417 2.2145212 ] [ 2.076079 3.8389891 4.46367 ] [ 3.6927424 1.3127552 2.5873474 ] [ 4.2657459 2.82142 4.6028321 ] [ 4.6691279 3.4691757 2.3494412 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5030657e-10 2.3303029e-10 2.4481781e-10 ] [ 2.281974e-10 1.4211514e-10 4.561131e-10 ] [ 2.546333e-10 4.4556417e-10 2.2145212e-10 ] [ 2.076079e-10 3.8389891e-10 4.46367e-10 ] [ 3.6927424e-10 1.3127552e-10 2.5873474e-10 ] [ 4.2657459e-10 2.82142e-10 4.6028321e-10 ] [ 4.6691279e-10 3.4691757e-10 2.3494412e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1e-06 1.3e-05 3.2e-06 ] [ -3.3e-06 1.8e-06 5.2e-06 ] [ -7e-07 -2.87e-05 2.71e-05 ] [ -1.36e-05 2.9e-06 -7e-06 ] [ 4.1e-06 8.2e-06 -4.4e-06 ] [ -7.3e-06 5.3e-06 -1.48e-05 ] [ 2.19e-05 -2.4e-06 -9.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.6021766208e-15 2.08282960704e-14 5.126965186560001e-15 ] [ -5.28718284864e-15 2.88391791744e-15 8.33131842816e-15 ] [ -1.12152363456e-15 -4.598246901696e-14 4.341898642368e-14 ] [ -2.178960204288e-14 4.646312200320001e-15 -1.12152363456e-14 ] [ 6.568924145279999e-15 1.313784829056e-14 -7.04957713152e-15 ] [ -1.169588933184e-14 8.491536090240001e-15 -2.371221398784e-14 ] [ 3.508766799552e-14 -3.84522388992e-15 -1.490024257344e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.628085 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.945854200207517e-18 } }