{ "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" [ [ 1.919195 1.598632 0.607522 ] [ 2.894266 0.8592219 2.792014 ] [ 2.250891 3.034774 3.11288 ] [ 5.028948 2.389792 2.243338 ] [ 4.250492 2.740815 4.381763 ] [ 4.34969 4.079675 2.747402 ] [ 3.264148 3.629997 0.8600408 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.919195e-10 1.598632e-10 6.07522e-11 ] [ 2.894266e-10 8.592219e-11 2.792014e-10 ] [ 2.250891e-10 3.034774e-10 3.11288e-10 ] [ 5.028948e-10 2.389792e-10 2.243338e-10 ] [ 4.250492000000001e-10 2.740815e-10 4.381763e-10 ] [ 4.34969e-10 4.079675e-10 2.747402e-10 ] [ 3.264148e-10 3.629997e-10 8.600408e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.9208931 -2.1765206 -1.6106585 ] [ -0.3813072 -3.5198972 -2.1747916 ] [ -6.2143586 2.3852535 3.1129529 ] [ 18.0905508 -27.4032943 -16.9206839 ] [ -1.4934489 -1.3300111 21.9527352 ] [ -5.4487677 28.4914571 3.1039237 ] [ -3.6317754 3.5530127 -7.4634778 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.475433407231825e-09 -3.48717044873966e-09 -2.580559414053489e-09 ] [ -6.109214862159648e-10 -5.639497047922024e-09 -3.484400285339474e-09 ] [ -9.95650014421695e-09 3.821597423866718e-09 4.987500399122539e-09 ] [ 2.898425778795e-08 -4.390491782208538e-08 -2.710992437587999e-08 ] [ -2.392768931653002e-09 -2.130912707380637e-09 3.517215938982932e-08 ] [ -8.729888293033922e-09 4.56483468342334e-08 4.973034025858826e-09 ] [ -5.818745685816003e-09 5.692553928245251e-09 -1.195780973953772e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -3.7228774 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.964707181526671e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.9262576 1.5909688 0.4003955 ] [ 3.0686895 1.0144935 2.5230647 ] [ 2.64731 3.069511 3.7532695 ] [ 5.4029143 1.8080156 1.9412274 ] [ 3.8432086 2.8415322 5.8105098 ] [ 4.2303804 4.0403892 2.1831433 ] [ 2.8388696 3.9679965 0.1333496 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9262576e-10 1.5909688e-10 4.003955e-11 ] [ 3.0686895e-10 1.0144935e-10 2.5230647e-10 ] [ 2.64731e-10 3.069511e-10 3.7532695e-10 ] [ 5.402914300000001e-10 1.8080156e-10 1.9412274e-10 ] [ 3.8432086e-10 2.8415322e-10 5.8105098e-10 ] [ 4.2303804e-10 4.0403892e-10 2.1831433e-10 ] [ 2.8388696e-10 3.9679965e-10 1.333496e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.66e-05 9.4e-06 3.27e-05 ] [ -1.24e-05 6.14e-05 3.2e-05 ] [ 8.6e-06 -6.05e-05 -1.5e-06 ] [ 7.9e-06 3.07e-05 -1.38e-05 ] [ -4.94e-05 -4.6e-06 -1.51e-05 ] [ 4.03e-05 -4.36e-05 -7.53e-05 ] [ -1.17e-05 7.2e-06 4.09e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.65961321244e-14 1.50604603596e-14 5.23911759318e-14 ] [ -1.98669902616e-14 9.83736453276e-14 5.126965228799999e-14 ] [ 1.37787190524e-14 -9.693168635699998e-14 -2.403264951e-15 ] [ 1.26571954086e-14 4.91868226638e-14 -2.21100375492e-14 ] [ -7.91475257196e-14 -7.370012516399999e-15 -2.41928671734e-14 ] [ 6.456771835019998e-14 -6.985490124239999e-14 -1.206439005402e-13 ] [ -1.87454666178e-14 1.15356717648e-14 6.552902433059999e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.454083 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.277105385249662e-18 } }