{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0221122 0.00357 0.1110342 ] [ 0.2725629 2.182164 0.260904 ] [ 0.3472204 2.881652 2.59775 ] [ 1.734388 0.2655593 2.566686 ] [ 2.338795 2.363947 0.0295877 ] [ 1.600298 1.908592 1.497057 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.21122e-12 3.57e-13 1.110342e-11 ] [ 2.725629e-11 2.182164e-10 2.60904e-11 ] [ 3.472204e-11 2.881652e-10 2.59775e-10 ] [ 1.734388e-10 2.655593e-11 2.566686e-10 ] [ 2.338795e-10 2.363947e-10 2.95877e-12 ] [ 1.600298e-10 1.908592e-10 1.497057e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 6.1106735 6.8170504 5.8143752 ] [ -17.6362138 -1.6223462 -16.2422617 ] [ -3.6595163 7.0103221 11.4856297 ] [ 0.6595964 -4.4754349 0.7965213 ] [ 12.3741459 3.4033112 -8.4676172 ] [ 2.1513142 -11.1329025 6.6133528 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.790378219042108e-09 1.092211877369529e-08 9.315656009999325e-09 ] [ -2.825632942979033e-08 -2.599285152483721e-09 -2.602297196465526e-08 ] [ -5.863191459296519e-09 1.123177417289756e-08 1.840200738050612e-08 ] [ 1.056789931243845e-09 -7.170437164692386e-09 1.276167804829223e-09 ] [ 1.982556726334818e-08 5.452705637946794e-09 -1.356661831172396e-08 ] [ 3.446785315235055e-09 -1.783687610714587e-08 1.059575924126222e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -2.0739227 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.322790463286412e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.2296423 0.1399622 0.6814282 ] [ 0.0457265 2.4416966 0.086401 ] [ -0.0521568 3.1412398 2.3909854 ] [ 1.7267091 -0.4515185 2.3879866 ] [ 2.4163269 2.4459734 -0.3917423 ] [ 1.9491284 1.8881308 1.90796 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.296423e-11 1.399622e-11 6.814282000000001e-11 ] [ 4.572650000000001e-12 2.4416966e-10 8.640100000000002e-12 ] [ -5.215680000000001e-12 3.1412398e-10 2.3909854e-10 ] [ 1.7267091e-10 -4.515185e-11 2.3879866e-10 ] [ 2.4163269e-10 2.4459734e-10 -3.917423e-11 ] [ 1.9491284e-10 1.8881308e-10 1.90796e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.24e-05 9.87e-05 0.0001224 ] [ -3.65e-05 -1.23e-05 -6.29e-05 ] [ -2.42e-05 -3.11e-05 -1.45e-05 ] [ -3e-07 -3.7e-06 -3.49e-05 ] [ 3.76e-05 3.3e-05 -1.09e-05 ] [ 1.1e-06 -8.46e-05 7e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.588875630592e-14 1.5813483247296e-13 1.9610641838592e-13 ] [ -5.84794466592e-14 -1.970677243584e-14 -1.0077690944832e-13 ] [ -3.877267422336e-14 -4.982769290688e-14 -2.32315610016e-14 ] [ -4.8065298624e-16 -5.928053496960001e-15 -5.591596406592e-14 ] [ 6.024184094208e-14 5.28718284864e-14 -1.746372516672e-14 ] [ 1.76239428288e-15 -1.3554414211968e-13 1.12152363456e-15 ] ] } "relaxed-potential-energy" { "source-value" -19.768249 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.167222638195298e-18 } }