{ "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" [ [ 2.70835 3.598 3.116557 ] [ 5.398567 2.472121 1.998263 ] [ 3.170959 1.761622 1.993892 ] [ 5.798068 2.225895 4.322659 ] [ 3.522139 1.857386 4.354431 ] [ 3.141461 3.938126 0.8725825 ] [ 4.820562 4.158888 3.263025 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.70835e-10 3.598e-10 3.116557e-10 ] [ 5.398567e-10 2.472121e-10 1.998263e-10 ] [ 3.170959e-10 1.761622e-10 1.993892e-10 ] [ 5.798068e-10 2.225895e-10 4.322659e-10 ] [ 3.522139e-10 1.857386e-10 4.354431e-10 ] [ 3.141461e-10 3.938126e-10 8.725825e-11 ] [ 4.820562e-10 4.158888e-10 3.263025e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -8.6834622 9.8298909 3.9756524 ] [ 4.4218791 -3.870898 -13.2794552 ] [ -2.9993862 -10.6555618 -9.2308504 ] [ 9.2315366 -8.4398926 13.4598049 ] [ 4.2385645 2.5759316 6.6428441 ] [ 0.3109095 3.6023091 -5.6367265 ] [ -6.5200413 6.9582207 4.0687308 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.391244012444053e-08 1.574922138499467e-08 6.36969732770741e-09 ] [ 7.084631314024145e-09 -6.201862277101478e-09 -2.127603265840098e-08 ] [ -4.805546446390153e-09 -1.707209199744957e-08 -1.478945270098233e-08 ] [ 1.479055211457952e-08 -1.352219860578293e-08 2.156498473130928e-08 ] [ 6.790928947652842e-09 4.127097386299938e-09 1.064300951263922e-08 ] [ 4.981319320846176e-10 5.771535420915088e-09 -9.031031416143811e-09 ] [ -1.044625773751044e-08 1.114829852790661e-08 6.51882536408888e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.636514 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.665463378241189e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6051772 4.0335605 2.9949368 ] [ 5.7720368 2.4230091 2.0314492 ] [ 3.4248097 1.8480705 1.779699 ] [ 5.9741448 1.8873627 4.5127415 ] [ 3.4983857 2.0508399 4.2429459 ] [ 2.3387523 3.6634692 0.6305141 ] [ 4.9467995 4.1057261 3.729123 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6051772e-10 4.0335605e-10 2.9949368e-10 ] [ 5.772036800000001e-10 2.4230091e-10 2.0314492e-10 ] [ 3.4248097e-10 1.8480705e-10 1.779699e-10 ] [ 5.9741448e-10 1.8873627e-10 4.5127415e-10 ] [ 3.4983857e-10 2.0508399e-10 4.2429459e-10 ] [ 2.3387523e-10 3.6634692e-10 6.305141e-11 ] [ 4.9467995e-10 4.1057261e-10 3.729123e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0001785 -0.000122 -3.2e-05 ] [ 2.28e-05 6.45e-05 4.84e-05 ] [ -0.0001695 2.78e-05 6.2e-06 ] [ 2.45e-05 -1.64e-05 -5.01e-05 ] [ 7.66e-05 0.0002192 -9.22e-05 ] [ 3.41e-05 -5.46e-05 2.83e-05 ] [ -0.000167 -0.0001186 9.13e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.859885268128e-13 -1.954655477376e-13 -5.12696518656e-14 ] [ 3.652962695424e-14 1.033403920416e-13 7.754534844671999e-14 ] [ -2.715689372256e-13 4.454051005824e-14 9.93349504896e-15 ] [ 3.92533272096e-14 -2.627569658112e-14 -8.026904870208e-14 ] [ 1.2272672915328e-13 3.5119711527936e-13 -1.4772068443776e-13 ] [ 5.463422276928e-14 -8.747884349568e-14 4.534159836864e-14 ] [ -2.675634956736e-13 -1.9001814722688e-13 1.4627872547904e-13 ] ] } "relaxed-potential-energy" { "source-value" -25.303157 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.054012657783187e-18 } }