{ "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" [ [ 1.947833 2.66109 2.800328 ] [ 2.760428 0.8143556 5.686562 ] [ 2.02068 0.2574425 3.346376 ] [ 3.738236 1.129785 1.86566 ] [ 4.311233 0.7772723 4.159405 ] [ 3.473629 2.806736 4.589232 ] [ 4.175068 3.516721 2.41803 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.947833e-10 2.66109e-10 2.800328e-10 ] [ 2.760428e-10 8.143556e-11 5.686562e-10 ] [ 2.02068e-10 2.574425e-11 3.346376e-10 ] [ 3.738236e-10 1.129785e-10 1.86566e-10 ] [ 4.311233e-10 7.772723e-11 4.159405e-10 ] [ 3.473629e-10 2.806736e-10 4.589232e-10 ] [ 4.175068e-10 3.516721e-10 2.41803e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 9.2443387 -5.3201416 2.3667108 ] [ -1.8136324 2.669028 -4.3419213 ] [ 7.9141966 7.9352486 1.9948094 ] [ -3.9430011 4.5905462 9.3257167 ] [ -3.6483304 1.8053987 -7.3170322 ] [ -2.3885287 -4.3913822 -5.8292298 ] [ -5.3650425 -7.2886976 3.8009464 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.481106333989667e-08 -8.523806490865506e-09 3.791888711954864e-09 ] [ -2.905759430005393e-09 4.276254261860582e-09 -6.956524796213543e-09 ] [ 1.267994076493485e-08 1.271366978715593e-08 3.196036983632075e-09 ] [ -6.317384178208683e-09 7.354865798342282e-09 1.494144526894413e-08 ] [ -5.845269671833912e-09 2.892567588362713e-09 -1.172317792448079e-08 ] [ -3.826844841249817e-09 -7.03576989383727e-09 -9.33945570283066e-09 ] [ -8.595745663098386e-09 -1.167778089080107e-08 6.089787458993925e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -37.874251 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.068123948251103e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0944646 2.6793779 2.4994423 ] [ 3.0402162 0.7172265 5.6401104 ] [ 2.1987589 0.7680344 3.5958924 ] [ 3.527863 1.1191747 1.8706429 ] [ 4.3701634 1.0685331 3.9088463 ] [ 2.9339798 2.6317632 4.5388693 ] [ 4.2616611 2.9792927 2.8117894 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0944646e-10 2.6793779e-10 2.4994423e-10 ] [ 3.0402162e-10 7.172265e-11 5.640110400000001e-10 ] [ 2.1987589e-10 7.680344e-11 3.5958924e-10 ] [ 3.527863e-10 1.1191747e-10 1.8706429e-10 ] [ 4.3701634e-10 1.0685331e-10 3.9088463e-10 ] [ 2.9339798e-10 2.6317632e-10 4.5388693e-10 ] [ 4.261661100000001e-10 2.9792927e-10 2.8117894e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.89e-05 -9.7e-06 2.64e-05 ] [ -5.79e-05 9.56e-05 -1.82e-05 ] [ -9.78e-05 -1.13e-05 0.0001003 ] [ 5.68e-05 1.28e-05 -0.0001548 ] [ 9.91e-05 -1.9e-05 2.75e-05 ] [ 4.26e-05 -0.0001024 -2.18e-05 ] [ 6.1e-06 3.42e-05 4.06e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.834643675712001e-14 -1.554111322176e-14 4.229746278912e-14 ] [ -9.276602634432e-14 1.5316808494848e-13 -2.915961449856e-14 ] [ -1.5669287351424e-13 -1.810459581504e-14 1.6069831506624e-13 ] [ 9.100363206143999e-14 2.050786074624e-14 -2.4801694089984e-13 ] [ 1.5877570312128e-13 -3.04413557952e-14 4.4059857072e-14 ] [ 6.825272404608e-14 -1.6406288596992e-13 -3.492745033344e-14 ] [ 9.77327738688e-15 5.479444043136e-14 6.504837080448e-14 ] ] } "relaxed-potential-energy" { "source-value" -50.517683 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.093825063958561e-18 } }