{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.5353879 0.9970923 2.660459 ] [ 0.8434423 2.30713 1.528251 ] [ 1.912844 1.041012 0.0827139 ] [ 2.263312 0.2132627 1.656325 ] [ 2.91731 1.870919 1.650254 ] [ 2.184429 2.813613 2.907386 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.353879e-11 9.970923e-11 2.660459e-10 ] [ 8.434423e-11 2.30713e-10 1.528251e-10 ] [ 1.912844e-10 1.041012e-10 8.27139e-12 ] [ 2.263312e-10 2.132627e-11 1.656325e-10 ] [ 2.91731e-10 1.870919e-10 1.650254e-10 ] [ 2.184429e-10 2.813613e-10 2.907386e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -22.9866259 -66.037603 55.7297384 ] [ -34.0004489 80.2070953 -48.0205392 ] [ -39.1278809 -14.8625847 -86.1301065 ] [ -1.7653483 -50.1796062 29.2018545 ] [ 132.1620371 9.4372835 1.3162331 ] [ -34.2817331 41.4354151 47.9028196 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.682863460805576e-08 -1.058039036202719e-07 8.928888394778001e-08 ] [ -5.447472432428508e-08 1.285059329119376e-07 -7.693738522444993e-08 ] [ -6.268977599942687e-08 -2.381248573099978e-08 -1.379956429813141e-07 ] [ -2.828399773829025e-09 -8.039659189459074e-08 4.678652856390327e-08 ] [ 2.117469259989222e-07 1.51201949875616e-08 2.108837900343108e-09 ] [ -5.49253912933255e-08 6.638685334636329e-08 7.674877763352001e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 62.101631 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 9.949778130174852e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.5210186 0.8784467 3.1229826 ] [ 0.2128083 2.5934002 1.1535295 ] [ 1.9311037 1.3343101 -0.2117231 ] [ 2.239356 -0.3806114 1.7577562 ] [ 3.7353755 1.7792171 1.6487847 ] [ 2.0170631 3.0382663 3.0140591 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.210186e-11 8.784467000000001e-11 3.1229826e-10 ] [ 2.128083e-11 2.5934002e-10 1.1535295e-10 ] [ 1.9311037e-10 1.3343101e-10 -2.117231e-11 ] [ 2.239356e-10 -3.806114e-11 1.7577562e-10 ] [ 3.7353755e-10 1.7792171e-10 1.6487847e-10 ] [ 2.0170631e-10 3.0382663e-10 3.0140591e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.44e-05 1.68e-05 1.45e-05 ] [ 1.76e-05 -1.89e-05 -9.2e-06 ] [ 1.34e-05 5.5e-06 2.1e-05 ] [ -1.24e-05 1.02e-05 -2.25e-05 ] [ -5.72e-05 1.19e-05 1.88e-05 ] [ 1.43e-05 -2.56e-05 -2.27e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.909310954752e-14 2.691656722944e-14 2.32315610016e-14 ] [ 2.819830852608e-14 -3.028113813312e-14 -1.474002491136e-14 ] [ 2.146916671872e-14 8.8119714144e-15 3.36457090368e-14 ] [ -1.986699009792e-14 1.634220153216e-14 -3.604897396800001e-14 ] [ -9.164450270976e-14 1.906590178752e-14 3.012092047104e-14 ] [ 2.291112567744e-14 -4.101572149248001e-14 -3.636940929216e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.960428 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.198013108276171e-18 } }