{ "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" [ [ 1.570546 2.153895 2.543093 ] [ 2.524346 2.661693 4.212043 ] [ 2.241813 4.238266 2.673997 ] [ 3.729345 1.325386 1.859362 ] [ 4.629957 2.667135 3.458757 ] [ 3.970969 3.734581 1.387215 ] [ 4.050613 4.976756 3.428708 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.570546e-10 2.153895e-10 2.543093e-10 ] [ 2.524346e-10 2.661693e-10 4.212043000000001e-10 ] [ 2.241813e-10 4.238266e-10 2.673997e-10 ] [ 3.729345e-10 1.325386e-10 1.859362e-10 ] [ 4.629957e-10 2.667135e-10 3.458757e-10 ] [ 3.970969e-10 3.734581e-10 1.387215e-10 ] [ 4.050613e-10 4.976756e-10 3.428708e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.2340222 -4.7410359 -4.2821077 ] [ 0.3194762 -1.6869515 8.4611724 ] [ -6.9474479 6.2056413 -2.8271946 ] [ -0.4507983 -1.5055543 -1.8504371 ] [ 4.7729816 -2.7435003 3.2069439 ] [ 1.7088365 -0.2193542 -5.6228925 ] [ 3.8309741 4.6907548 2.9145157 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.181474759988182e-09 -7.595976877353487e-09 -6.860692844687661e-09 ] [ 5.11857298542025e-10 -2.702794253723491e-09 1.355629260383823e-08 ] [ -1.113103859960606e-08 9.94253340793092e-09 -4.529665090572007e-09 ] [ -7.222584969563847e-10 -2.41216390080491e-09 -2.964727059880952e-09 ] [ 7.647159531028577e-09 -4.395572039817786e-09 5.138090540797174e-09 ] [ 2.7378578890697e-09 -3.514441709142873e-10 -9.008866904771665e-09 ] [ 6.137897137910321e-09 7.515417674465378e-09 4.669568915494546e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.106715 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.619274248608867e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.7068026 1.9197923 2.3983172 ] [ 2.3777467 2.7378303 4.5402543 ] [ 1.9956993 4.3701335 2.7042117 ] [ 3.9101347 1.7176389 1.8359829 ] [ 4.5555596 2.5045025 3.8964509 ] [ 3.7503744 3.8449113 1.0229927 ] [ 4.4212717 4.6629032 3.1649653 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7068026e-10 1.9197923e-10 2.3983172e-10 ] [ 2.3777467e-10 2.7378303e-10 4.5402543e-10 ] [ 1.9956993e-10 4.3701335e-10 2.7042117e-10 ] [ 3.9101347e-10 1.7176389e-10 1.8359829e-10 ] [ 4.5555596e-10 2.5045025e-10 3.8964509e-10 ] [ 3.7503744e-10 3.844911300000001e-10 1.0229927e-10 ] [ 4.4212717e-10 4.6629032e-10 3.1649653e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.41e-05 -2.44e-05 -1.1e-06 ] [ -9.1e-06 -3.88e-05 -2.4e-06 ] [ 2.33e-05 1.56e-05 1.42e-05 ] [ 1.9e-06 1.26e-05 1.13e-05 ] [ -1.54e-05 3.77e-05 1.02e-05 ] [ 9.3e-06 1.41e-05 1.18e-05 ] [ 1.41e-05 -1.67e-05 -4.38e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.861245656128e-14 -3.909310954752e-14 -1.76239428288e-15 ] [ -1.457980724928e-14 -6.216445288704e-14 -3.84522388992e-15 ] [ 3.733071526464e-14 2.499395528448e-14 2.275090801536e-14 ] [ 3.04413557952e-15 2.018742542208e-14 1.810459581504e-14 ] [ -2.467351996032e-14 6.040205860416e-14 1.634220153216e-14 ] [ 1.490024257344e-14 2.259069035328e-14 1.890568412544e-14 ] [ 2.259069035328e-14 -2.675634956736e-14 -7.017533599104001e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.445632 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.314445386308035e-18 } }