{ "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" [ [ -20.937217 -21.2917044 32.0764013 ] [ -16.5591988 23.9245802 -24.007403 ] [ -2.2576181 2.8628785 -40.3246471 ] [ 1.5090095 -52.1229321 9.8429581 ] [ 41.083298 13.1392972 -13.8862125 ] [ -2.8382737 33.4878806 36.2989032 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.354511958201631e-08 -3.411307100666449e-08 5.139206024225874e-08 ] [ -2.653076117653942e-08 3.833140305889459e-08 -3.846409981272379e-08 ] [ -3.617102938514917e-09 4.586837000890973e-09 -6.460720682563053e-08 ] [ 2.417699741465097e-09 -8.351014321816584e-08 1.577015734733399e-08 ] [ 6.58226995609594e-08 2.10514747875829e-08 -2.224816501896072e-08 ] [ -4.547415765571513e-09 5.365349937746188e-08 5.815725406772231e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 25.816237 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.136217135843194e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.5758342 0.8944649 3.0811896 ] [ 0.2620885 2.552329 1.1814727 ] [ 1.9123102 1.3452352 -0.1445182 ] [ 2.2260639 -0.3126221 1.7552024 ] [ 3.6653257 1.7782675 1.6430233 ] [ 2.0151026 2.9853544 2.9690191 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.758342e-11 8.944649e-11 3.0811896e-10 ] [ 2.620885e-11 2.552329e-10 1.1814727e-10 ] [ 1.9123102e-10 1.3452352e-10 -1.445182e-11 ] [ 2.2260639e-10 -3.126221e-11 1.7552024e-10 ] [ 3.6653257e-10 1.7782675e-10 1.6430233e-10 ] [ 2.0151026e-10 2.9853544e-10 2.9690191e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.1e-06 7.1e-06 1.6e-06 ] [ -1.06e-05 9.2e-06 6.1e-06 ] [ 1.5e-06 1.73e-05 1.5e-06 ] [ 5.7e-06 -1.38e-05 1.02e-05 ] [ 1.33e-05 -7.5e-06 7e-07 ] [ -1.5e-05 -1.24e-05 -2.01e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.17110076608e-15 1.137545400768e-14 2.56348259328e-15 ] [ -1.698307218048e-14 1.474002491136e-14 9.77327738688e-15 ] [ 2.4032649312e-15 2.771765553984e-14 2.4032649312e-15 ] [ 9.13240673856e-15 -2.211003736704e-14 1.634220153216e-14 ] [ 2.130894905664e-14 -1.2016324656e-14 1.12152363456e-15 ] [ -2.4032649312e-14 -1.986699009792e-14 -3.220375007808e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.325443 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.295188985720302e-18 } }