{ "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" [ [ 2.819728 1.352428 1.364201 ] [ 2.130711 2.142985 3.535598 ] [ 2.900765 3.536828 2.247591 ] [ 4.867849 2.542824 1.805581 ] [ 4.180951 2.552465 4.619841 ] [ 3.604443 0.2919785 5.062878 ] [ 4.799237 0.5958561 3.34882 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.819728e-10 1.352428e-10 1.364201e-10 ] [ 2.130711e-10 2.142985e-10 3.535598e-10 ] [ 2.900765e-10 3.536828e-10 2.247591e-10 ] [ 4.867849e-10 2.542824e-10 1.805581e-10 ] [ 4.180951e-10 2.552465e-10 4.619841e-10 ] [ 3.604443e-10 2.919785e-11 5.062878e-10 ] [ 4.799237e-10 5.958561e-11 3.34882e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.686354 -8.7516281 2.0653882 ] [ -1.5546709 -4.6754065 6.727964 ] [ 2.8004412 5.3689175 6.0952847 ] [ 3.2008898 0.1866643 6.5089171 ] [ -1.0219631 8.0555573 -11.4400826 ] [ -5.0637274 -0.4249328 1.2546376 ] [ -3.0473236 0.2408283 -11.212109 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.508366877452434e-09 -1.402165405127781e-08 3.309116714179319e-09 ] [ -2.49085738953975e-09 -7.490827048751721e-09 1.077938671519317e-08 ] [ 4.48680145553092e-09 8.601954168373694e-09 9.7657227239177e-09 ] [ 5.128390845568933e-09 2.990691798619662e-10 1.042843489026304e-08 ] [ -1.637365399630205e-09 1.290642567990813e-08 -1.832903303274997e-08 ] [ -8.112985721225572e-09 -6.808174031801951e-10 2.010151046857838e-09 ] [ -4.882350668156761e-09 3.858494750659421e-10 -1.79637790576611e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -18.911137 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.029898182377286e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.9827282 1.064518 2.0213886 ] [ 1.7410587 2.2094691 3.9501862 ] [ 2.8774861 3.6093225 2.3143192 ] [ 5.0328752 2.5907596 1.8204087 ] [ 4.2468948 2.6541541 4.259902 ] [ 3.1940879 0.3257401 4.4672864 ] [ 5.2285532 0.5614012 3.1510189 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9827282e-10 1.064518e-10 2.0213886e-10 ] [ 1.7410587e-10 2.2094691e-10 3.9501862e-10 ] [ 2.8774861e-10 3.609322500000001e-10 2.3143192e-10 ] [ 5.0328752e-10 2.5907596e-10 1.8204087e-10 ] [ 4.2468948e-10 2.6541541e-10 4.259902000000001e-10 ] [ 3.1940879e-10 3.257401e-11 4.4672864e-10 ] [ 5.2285532e-10 5.614012e-11 3.1510189e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.94e-05 6.23e-05 2.09e-05 ] [ -8.51e-05 -4.7e-06 7.7e-06 ] [ 4.3e-06 8e-06 -7.3e-06 ] [ 1.78e-05 3.25e-05 -3.52e-05 ] [ -7.8e-06 -1.09e-05 -3.94e-05 ] [ 4.53e-05 -1.96e-05 3.81e-05 ] [ -1.39e-05 -6.76e-05 1.52e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.31257593796e-14 9.981560429819998e-14 3.34854916506e-14 ] [ -1.363452315534e-13 -7.530230179799999e-15 1.23367600818e-14 ] [ 6.8893595262e-15 1.2817413072e-14 -1.16958894282e-14 ] [ 2.851874408519999e-14 5.207074060499999e-14 -5.63966175168e-14 ] [ -1.24969777452e-14 -1.74637253106e-14 -6.31257593796e-14 ] [ 7.25786015202e-14 -3.140266202639999e-14 6.10429297554e-14 ] [ -2.22702552126e-14 -1.083071404584e-13 2.43530848368e-14 ] ] } "relaxed-potential-energy" { "source-value" -26.557231 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.254937497194045e-18 } }