{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.7440121 1.644003 0.1699327 ] [ 1.624629 1.787277 2.54743 ] [ 2.897237 1.241702 0.9240311 ] [ 2.052276 3.648887 1.374272 ] [ 4.460812 2.919724 2.096642 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.440121e-11 1.644003e-10 1.699327e-11 ] [ 1.624629e-10 1.787277e-10 2.54743e-10 ] [ 2.897237e-10 1.241702e-10 9.240311e-11 ] [ 2.052276e-10 3.648887e-10 1.374272e-10 ] [ 4.460812e-10 2.919724e-10 2.096642e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.391784 -0.0309367 -0.837221 ] [ -2.226965 0.2065978 4.3089138 ] [ 2.7360742 -1.9020255 -3.1069427 ] [ -0.1173252 1.7263645 -0.3647501 ] [ 0.0 0.0 0.0 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.277071703750559e-10 -4.95660578730678e-11 -1.341375923694114e-09 ] [ -3.567991287735809e-09 3.310061677958052e-10 6.903641008280148e-09 ] [ 4.383674152130242e-09 -3.047380813372167e-09 -4.977870997116871e-09 ] [ -1.879756940193768e-10 2.765940863667093e-09 -5.843940874691634e-10 ] [ 0.0 0.0 0.0 ] ] } "unrelaxed-potential-energy" { "source-value" -5.4370782 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.711159649270778e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.8510397 0.6968644 -1.052684 ] [ 2.7319814 2.6361817 2.0412518 ] [ 1.903941 0.7685643 0.9854707 ] [ 1.3213656 4.3678104 2.5888845 ] [ 4.9706384 2.7721722 2.5493849 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.510397e-11 6.968644000000001e-11 -1.052684e-10 ] [ 2.7319814e-10 2.6361817e-10 2.0412518e-10 ] [ 1.903941e-10 7.685643e-11 9.854707000000001e-11 ] [ 1.3213656e-10 4.3678104e-10 2.5888845e-10 ] [ 4.970638400000001e-10 2.7721722e-10 2.5493849e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -7e-07 -3e-07 -1.3e-06 ] [ 5.7e-06 2.6e-06 -1.6e-06 ] [ 1.6e-06 2.3e-06 3.7e-06 ] [ -8.2e-06 1e-06 3e-07 ] [ 1.6e-06 -5.7e-06 -1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.1215236438e-15 -4.806529901999999e-16 -2.0828296242e-15 ] [ 9.1324068138e-15 4.165659248399999e-15 -2.5634826144e-15 ] [ 2.5634826144e-15 3.685006258199999e-15 5.9280535458e-15 ] [ -1.31378483988e-14 1.602176634e-15 4.806529901999999e-16 ] [ 2.5634826144e-15 -9.1324068138e-15 -1.602176634e-15 ] ] } "relaxed-potential-energy" { "source-value" -10.575945 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.694453196146913e-18 } }