{ "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" [ [ 2.717363 2.851349 1.457488 ] [ 0.2108152 2.748454 1.624055 ] [ 2.409053 4.258926 3.949315 ] [ 4.77033 2.580775 2.438947 ] [ 3.623649 2.286945 4.240246 ] [ 4.139768 4.74377 1.918983 ] [ 5.145543 4.155434 3.91724 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.717363e-10 2.851349e-10 1.457488e-10 ] [ 2.108152e-11 2.748454e-10 1.624055e-10 ] [ 2.409053e-10 4.258926e-10 3.949315e-10 ] [ 4.770330000000001e-10 2.580775e-10 2.438947e-10 ] [ 3.623649e-10 2.286945e-10 4.240246e-10 ] [ 4.139768e-10 4.743769999999999e-10 1.918983e-10 ] [ 5.145543e-10 4.155434e-10 3.91724e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.3011128 -1.3391395 -4.6998073 ] [ 0.642306 0.2034891 0.4799359 ] [ -5.1114166 1.9593745 1.0403179 ] [ 5.1249627 -10.274343 -3.0430741 ] [ -3.2627794 -5.5797347 4.4054209 ] [ -2.4946 8.4486902 -4.6367535 ] [ 9.4026401 6.5816635 6.4539601 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.891142371583627e-09 -2.145537998889801e-09 -7.529921378325171e-09 ] [ 1.029087656599565e-09 3.260254786076333e-10 7.689420784626068e-10 ] [ -8.189392175689025e-09 3.139264015291689e-09 1.666773017579752e-09 ] [ 8.211095420412045e-09 -1.646131214868013e-08 -4.875542178382002e-09 ] [ -5.227548873507852e-09 -8.939720486606503e-09 7.058262370763695e-09 ] [ -3.996789798247681e-09 1.353629391482208e-08 -7.428898054112574e-09 ] [ 1.506469014201657e-08 1.05449873856727e-08 1.034038398379603e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -8.3724757 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.341418482475612e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.2201951 3.1007767 0.9743779 ] [ 0.882121 2.7938776 1.9044786 ] [ 1.9274417 4.1091914 3.8440135 ] [ 4.5743931 2.0223151 2.6844401 ] [ 3.1485051 2.2131742 4.5648294 ] [ 3.5350245 5.1402056 2.3360592 ] [ 5.7288406 4.2461125 3.2380754 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.2201951e-10 3.1007767e-10 9.743779e-11 ] [ 8.821210000000001e-11 2.7938776e-10 1.9044786e-10 ] [ 1.9274417e-10 4.109191400000001e-10 3.8440135e-10 ] [ 4.5743931e-10 2.0223151e-10 2.6844401e-10 ] [ 3.1485051e-10 2.2131742e-10 4.5648294e-10 ] [ 3.5350245e-10 5.1402056e-10 2.3360592e-10 ] [ 5.7288406e-10 4.2461125e-10 3.2380754e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -7.2e-06 2.2e-06 6e-06 ] [ -7.6e-06 4.4e-06 -6.6e-06 ] [ -3.4e-06 -8.2e-06 -9.4e-06 ] [ 8.2e-06 -2e-07 -9.4e-06 ] [ 3.5e-06 -2.9e-06 2.19e-05 ] [ 8.7e-06 4.5e-06 -4.4e-06 ] [ -2.1e-06 3e-07 1.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.153567166976e-14 3.52478856576e-15 9.6130597248e-15 ] [ -1.217654231808e-14 7.04957713152e-15 -1.057436569728e-14 ] [ -5.44740051072e-15 -1.313784829056e-14 -1.506046023552e-14 ] [ 1.313784829056e-14 -3.2043532416e-16 -1.506046023552e-14 ] [ 5.6076181728e-15 -4.646312200320001e-15 3.508766799552e-14 ] [ 1.393893660096e-14 7.2097947936e-15 -7.04957713152e-15 ] [ -3.36457090368e-15 4.8065298624e-16 2.88391791744e-15 ] ] } "relaxed-potential-energy" { "source-value" -18.978138 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.040632900991607e-18 } }