{ "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" [ [ 2.512586 2.352376 3.000619 ] [ 5.747731 2.138199 1.702882 ] [ 4.441387 1.564453 3.266826 ] [ 5.259627 4.180433 2.034508 ] [ 3.39507 3.451757 1.390248 ] [ 4.402652 3.245897 4.59308 ] [ 3.137856 4.41534 3.36482 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.512586e-10 2.352376e-10 3.000619e-10 ] [ 5.747731e-10 2.138199e-10 1.702882e-10 ] [ 4.441387e-10 1.564453e-10 3.266826e-10 ] [ 5.259627e-10 4.180433e-10 2.034508e-10 ] [ 3.39507e-10 3.451757e-10 1.390248e-10 ] [ 4.402652e-10 3.245897e-10 4.59308e-10 ] [ 3.137856000000001e-10 4.41534e-10 3.36482e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -15.6186759 -9.8544776 -0.9866465 ] [ 7.4120545 -5.490901 -4.2401121 ] [ 6.2286995 -21.6225262 7.1712732 ] [ 11.1976312 12.562667 -3.6988233 ] [ -8.7862991 3.8178462 -19.4323377 ] [ 7.7060763 2.4720566 14.7257582 ] [ -8.1394865 18.1153351 6.4608883 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.50238773748324e-08 -1.578861362091729e-08 -1.580781955294147e-09 ] [ 1.187542043199543e-08 -8.79739320932734e-09 -6.793408476191192e-09 ] [ 9.979476716888652e-09 -3.464310596027547e-08 1.14896462624096e-08 ] [ 1.794058291698065e-08 2.012761136229567e-08 -5.926168215730305e-09 ] [ -1.407720300137608e-08 6.116863923450121e-09 -3.113403715043045e-08 ] [ 1.234649528596097e-08 3.960671289814338e-09 2.359326551159389e-08 ] [ -1.304089497561722e-08 2.902396637517763e-08 1.035148418386026e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -2.7963256 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.480207500464533e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.3207966 2.4632686 2.6500987 ] [ 5.5981451 1.7912327 1.5170722 ] [ 4.3703613 1.4866633 3.560671 ] [ 5.5902041 4.317152 2.161826 ] [ 3.6106067 3.3298285 0.8253605 ] [ 4.8754193 3.7373896 4.3747796 ] [ 2.5313758 4.2229203 4.2631749 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3207966e-10 2.4632686e-10 2.6500987e-10 ] [ 5.5981451e-10 1.7912327e-10 1.5170722e-10 ] [ 4.3703613e-10 1.4866633e-10 3.560671e-10 ] [ 5.590204100000001e-10 4.317152e-10 2.161826e-10 ] [ 3.6106067e-10 3.3298285e-10 8.253605000000001e-11 ] [ 4.8754193e-10 3.7373896e-10 4.3747796e-10 ] [ 2.5313758e-10 4.2229203e-10 4.2631749e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.06e-05 -2e-07 -2.4e-06 ] [ -3.7e-06 -2.7e-06 6.1e-06 ] [ 2.3e-05 1.58e-05 -1.29e-05 ] [ -1.02e-05 -1.28e-05 1.39e-05 ] [ -5.3e-06 -2.1e-06 -1.05e-05 ] [ 2.8e-06 -5.1e-06 1.04e-05 ] [ 4e-06 7.2e-06 -4.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.698307218048e-14 -3.2043532416e-16 -3.84522388992e-15 ] [ -5.928053496960001e-15 -4.32587687616e-15 9.77327738688e-15 ] [ 3.68500622784e-14 2.531439060864e-14 -2.066807840832e-14 ] [ -1.634220153216e-14 -2.050786074624e-14 2.227025502912e-14 ] [ -8.491536090240001e-15 -3.36457090368e-15 -1.68228545184e-14 ] [ 4.48609453824e-15 -8.17110076608e-15 1.666263685632e-14 ] [ 6.4087064832e-15 1.153567166976e-14 -7.370012455680001e-15 ] ] } "relaxed-potential-energy" { "source-value" -19.086282 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.057959479839587e-18 } }