{ "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" [ [ 2.176849 1.681974 3.211274 ] [ 2.864727 5.809081 2.248654 ] [ 2.905691 3.612446 1.71083 ] [ 4.50356 2.090932 1.710731 ] [ 5.648677 2.904188 3.876429 ] [ 4.83518 4.522991 2.188517 ] [ 3.438619 4.083879 4.381538 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.176849e-10 1.681974e-10 3.211274e-10 ] [ 2.864727e-10 5.809081e-10 2.248654e-10 ] [ 2.905691e-10 3.612446e-10 1.71083e-10 ] [ 4.503560000000001e-10 2.090932e-10 1.710731e-10 ] [ 5.648677e-10 2.904188e-10 3.876429e-10 ] [ 4.835180000000001e-10 4.522991000000001e-10 2.188517e-10 ] [ 3.438619e-10 4.083879e-10 4.381538e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.8804755 1.3684711 0.5053094 ] [ -1.6837386 3.6712472 2.1138855 ] [ -8.4456935 -2.4169693 -3.7572848 ] [ 1.9774548 -4.5656704 1.0893713 ] [ -0.3951163 -0.6628865 0.5734482 ] [ 7.5561478 3.7777981 -0.2041961 ] [ -0.8895296 -1.1719901 -0.3205334 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.01285388208719e-09 2.192532402660459e-09 8.095949069504756e-10 ] [ -2.697646620458523e-09 5.881986433017462e-09 3.386817927148118e-09 ] [ -1.353149267214253e-08 -3.872411705651341e-09 -6.019833864247204e-09 ] [ 3.16823184924874e-09 -7.315010373158585e-09 1.745365228230503e-09 ] [ -6.330460983569991e-10 -1.062061252543939e-09 9.187652992798426e-10 ] [ 1.210628334846935e-08 6.05269979392266e-09 -3.271582174785389e-10 ] [ -1.425183528629576e-09 -1.877735138029054e-09 -5.135511196655348e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -19.069596 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.05528608793012e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1388238 1.8423237 3.0859799 ] [ 2.9522434 5.7506235 2.6860443 ] [ 2.5821521 3.635281 1.3853446 ] [ 4.4833709 1.9556291 2.1950835 ] [ 5.8165982 3.2201108 3.9059425 ] [ 5.0232481 4.5497426 1.9295525 ] [ 3.3768666 3.7517804 4.1400258 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1388238e-10 1.8423237e-10 3.0859799e-10 ] [ 2.9522434e-10 5.7506235e-10 2.6860443e-10 ] [ 2.5821521e-10 3.635281e-10 1.3853446e-10 ] [ 4.4833709e-10 1.9556291e-10 2.1950835e-10 ] [ 5.8165982e-10 3.2201108e-10 3.9059425e-10 ] [ 5.0232481e-10 4.5497426e-10 1.9295525e-10 ] [ 3.3768666e-10 3.7517804e-10 4.1400258e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.02e-05 -6.7e-05 5.71e-05 ] [ -3.18e-05 5.27e-05 -3.95e-05 ] [ -6.46e-05 1.38e-05 -8.69e-05 ] [ 1.89e-05 -0.0001013 -6.62e-05 ] [ 5.24e-05 -4.05e-05 2.49e-05 ] [ 9.42e-05 0.000107 -2.5e-06 ] [ -3.9e-05 3.52e-05 0.0001131 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.838573394816e-14 -1.073458335936e-13 9.148428504768e-14 ] [ -5.094921654144e-14 8.443470791616e-14 -6.32859765216e-14 ] [ -1.0350060970368e-13 2.211003736704e-14 -1.3922914834752e-13 ] [ 3.028113813312e-14 -1.6230049168704e-13 -1.0606409229696e-13 ] [ 8.395405492992e-14 -6.488815314240001e-14 3.989419785791999e-14 ] [ 1.5092503767936e-13 1.714328984256e-13 -4.005441552e-15 ] [ -6.248488821120001e-14 5.639661705216e-14 1.8120617581248e-13 ] ] } "relaxed-potential-energy" { "source-value" -23.608362 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.782476565178313e-18 } }