{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.235296 0.1194615 1.060663 ] [ 0.5951279 1.958954 0.23753 ] [ 0.7849876 2.237774 2.150251 ] [ 2.634784 1.158802 0.6457174 ] [ 2.006718 1.111823 2.877883 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.235296e-10 1.194615e-11 1.060663e-10 ] [ 5.951279e-11 1.958954e-10 2.3753e-11 ] [ 7.849876000000001e-11 2.237774e-10 2.150251e-10 ] [ 2.634784e-10 1.158802e-10 6.457174e-11 ] [ 2.006718e-10 1.111823e-10 2.877883e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -55.1460335 -39.935383 12.891918 ] [ -32.9972999 1.3030003 -37.0922258 ] [ -46.1015574 55.2254706 10.1106566 ] [ 92.4660236 28.1985285 -24.8046018 ] [ 41.7788672 -44.7916164 38.8942531 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.83536856035536e-08 -6.398353698529377e-08 2.06551296168707e-08 ] [ -5.286750244930618e-08 2.087636617555386e-09 -5.942829699019458e-08 ] [ -7.386283744874924e-08 8.848095786799775e-08 1.619905762545722e-08 ] [ 1.481469012302611e-07 4.517902310366249e-08 -3.97413530922136e-08 ] [ 6.693712427134796e-08 -7.176408060392187e-08 6.231546300029793e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 31.781062 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.091887452059529e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.0234179 -0.4762722 1.0090464 ] [ 0.5721037 1.959492 0.11704 ] [ 0.4497602 2.8432492 2.4837955 ] [ 3.0888483 1.2683196 0.4642572 ] [ 2.1227833 0.9920259 2.8979052 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0234179e-10 -4.762722e-11 1.0090464e-10 ] [ 5.721037e-11 1.959492e-10 1.1704e-11 ] [ 4.497602e-11 2.8432492e-10 2.4837955e-10 ] [ 3.0888483e-10 1.2683196e-10 4.642572e-11 ] [ 2.1227833e-10 9.920259e-11 2.8979052e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.6e-06 -3.03e-05 -3.15e-05 ] [ -1.47e-05 -1.4e-05 -9.2e-06 ] [ -1.02e-05 5.65e-05 1.87e-05 ] [ 1.87e-05 3.6e-06 -2.97e-05 ] [ 6e-07 -1.58e-05 5.16e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.972189076479999e-15 -4.854595161024e-14 -5.04685635552e-14 ] [ -2.355199632576e-14 -2.24304726912e-14 -1.474002491136e-14 ] [ -1.634220153216e-14 9.052297907519999e-14 2.996070280896e-14 ] [ 2.996070280896e-14 5.76783583488e-15 -4.758464563776e-14 ] [ 9.6130597248e-16 -2.531439060864e-14 8.267231363328e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.879291 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.544142879507986e-18 } }