{ "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" [ [ 1.442259 2.324158 2.548252 ] [ 2.158618 1.41899 4.605472 ] [ 2.34516 4.213318 2.000238 ] [ 2.029556 3.900131 4.500233 ] [ 3.591834 1.471441 2.657937 ] [ 4.338938 2.513725 4.512162 ] [ 5.128703 3.807673 2.402827 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.442259e-10 2.324158e-10 2.548252e-10 ] [ 2.158618e-10 1.41899e-10 4.605472e-10 ] [ 2.34516e-10 4.213318e-10 2.000238e-10 ] [ 2.029556e-10 3.900131e-10 4.500233e-10 ] [ 3.591834e-10 1.471441e-10 2.657937e-10 ] [ 4.338938e-10 2.513725e-10 4.512162e-10 ] [ 5.128703e-10 3.807673e-10 2.402827e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.8180362 -1.1655167 0.4373342 ] [ 0.2676552 0.5914777 0.0260616 ] [ 2.2735516 1.0949158 0.5633016 ] [ 0.4409776 -0.6483496 -0.5891818 ] [ 0.5469761 0.0002947 -0.9628356 ] [ -0.2257467 1.2022713 -0.1208289 ] [ -2.4853776 -1.0750932 0.646149 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.310638474608073e-09 -1.867363607891967e-09 7.006866307162714e-10 ] [ 4.288309038755482e-10 9.476517426645562e-10 4.175528622064128e-11 ] [ 3.642631219702433e-09 1.754248496504529e-09 9.025086539792333e-10 ] [ 7.065240010164941e-10 -1.038770571225032e-09 -9.439733053608614e-10 ] [ 8.763523195563628e-10 4.7216145014976e-13 -1.542632687993941e-09 ] [ -3.616860849627513e-10 1.926250968718823e-09 -1.935892386969811e-10 ] [ -3.982013884580014e-09 -1.722489190221058e-09 1.035244821353299e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.830261 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.177158055856203e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.5088048 2.3446177 2.4894027 ] [ 2.2878304 1.4340856 4.5487739 ] [ 2.546228 4.4710691 2.1987615 ] [ 2.053378 3.8023325 4.4331312 ] [ 3.7044342 1.3290056 2.6358929 ] [ 4.2490235 2.7867459 4.5796513 ] [ 4.6853691 3.4815796 2.3415075 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5088048e-10 2.3446177e-10 2.4894027e-10 ] [ 2.2878304e-10 1.4340856e-10 4.5487739e-10 ] [ 2.546228e-10 4.471069100000001e-10 2.1987615e-10 ] [ 2.053378e-10 3.8023325e-10 4.4331312e-10 ] [ 3.704434200000001e-10 1.3290056e-10 2.6358929e-10 ] [ 4.2490235e-10 2.7867459e-10 4.5796513e-10 ] [ 4.6853691e-10 3.4815796e-10 2.3415075e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.59e-05 -2.14e-05 -1.91e-05 ] [ -7e-07 1.2e-05 -1.97e-05 ] [ 1.17e-05 -4e-07 -2.8e-06 ] [ -2.7e-06 4.06e-05 3.67e-05 ] [ 2.65e-05 -5.01e-05 1.49e-05 ] [ 1.1e-06 -2.89e-05 1.46e-05 ] [ -1e-07 4.82e-05 -2.46e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.751814068672e-14 -3.428657968511999e-14 -3.060157345728e-14 ] [ -1.12152363456e-15 1.92261194496e-14 -3.156287942976e-14 ] [ 1.874546646336e-14 -6.408706483200001e-16 -4.48609453824e-15 ] [ -4.32587687616e-15 6.504837080448e-14 5.879988198335999e-14 ] [ 4.24576804512e-14 -8.026904870208e-14 2.387243164992e-14 ] [ 1.76239428288e-15 -4.630290434112001e-14 2.339177866368e-14 ] [ -1.6021766208e-16 7.722491312256001e-14 -3.941354487168e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.43874 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.434864800740979e-18 } }