{ "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" [ [ 1.999551 1.685791 2.486539 ] [ 2.806467 1.943327 4.558328 ] [ 1.52714 3.922099 3.002179 ] [ 4.336396 2.072479 2.061694 ] [ 5.046676 1.88237 4.081611 ] [ 3.556935 4.352885 1.849563 ] [ 3.300335 4.140991 4.307093 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.999551e-10 1.685791e-10 2.486539e-10 ] [ 2.806467e-10 1.943327e-10 4.558328e-10 ] [ 1.52714e-10 3.922099e-10 3.002179e-10 ] [ 4.336396e-10 2.072479e-10 2.061694e-10 ] [ 5.046676e-10 1.88237e-10 4.081611e-10 ] [ 3.556935e-10 4.352885e-10 1.849563e-10 ] [ 3.300335e-10 4.140991e-10 4.307093e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.00068 -0.1575902 -0.8726949 ] [ -0.0585333 -1.7676412 2.9375604 ] [ -2.5673455 0.7082593 -1.762592 ] [ -0.5677656 0.9060911 -2.5624918 ] [ 0.6423289 0.0133763 1.2228974 ] [ 0.9410183 -0.6581815 -0.5315451 ] [ 1.6109772 0.9556862 1.568866 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.089480102144e-12 -2.524873341071962e-10 -1.398211365871394e-09 ] [ -9.378068479827265e-11 -2.832073404602857e-09 4.706490595067896e-09 ] [ -4.113340937616087e-09 1.134756491924173e-09 -2.823983694409113e-09 ] [ -9.096607704144844e-10 1.451717976734955e-09 -4.105564452951709e-09 ] [ 1.029124346444181e-09 2.143119513280704e-11 1.959297623917106e-09 ] [ 1.507677520004961e-09 -1.054523011543075e-09 -8.516291321207981e-10 ] [ 2.581070006481846e-09 1.531178086461193e-09 2.513600426368013e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -13.455817 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.155859541116319e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0170016 1.6398657 2.5971482 ] [ 2.7280431 1.7519477 4.7636269 ] [ 1.5705453 3.8713798 2.7782183 ] [ 4.1381451 2.0797157 1.829982 ] [ 4.9330818 2.2091363 3.9661189 ] [ 3.7755839 4.3286239 1.9807413 ] [ 3.4110992 4.1192729 4.4311713 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0170016e-10 1.6398657e-10 2.5971482e-10 ] [ 2.7280431e-10 1.7519477e-10 4.763626900000001e-10 ] [ 1.5705453e-10 3.8713798e-10 2.7782183e-10 ] [ 4.1381451e-10 2.0797157e-10 1.829982e-10 ] [ 4.9330818e-10 2.2091363e-10 3.9661189e-10 ] [ 3.7755839e-10 4.3286239e-10 1.9807413e-10 ] [ 3.4110992e-10 4.119272900000001e-10 4.4311713e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -9.6e-06 8.3e-06 -6e-06 ] [ 1.53e-05 -1.11e-05 -1.55e-05 ] [ -9.7e-06 1.11e-05 -4.2e-06 ] [ -2.2e-06 -5.2e-06 7.4e-06 ] [ 2.6e-06 1.54e-05 1.36e-05 ] [ -2.3e-06 -1.63e-05 -9.9e-06 ] [ 6e-06 -2.1e-06 1.45e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.538089555968e-14 1.329806595264e-14 -9.6130597248e-15 ] [ 2.451330229824e-14 -1.778416049088e-14 -2.48337376224e-14 ] [ -1.554111322176e-14 1.778416049088e-14 -6.72914180736e-15 ] [ -3.52478856576e-15 -8.33131842816e-15 1.185610699392e-14 ] [ 4.16565921408e-15 2.467351996032e-14 2.178960204288e-14 ] [ -3.68500622784e-15 -2.611547891904e-14 -1.586154854592e-14 ] [ 9.6130597248e-15 -3.36457090368e-15 2.32315610016e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.445632 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.314445386308035e-18 } }