{ "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" [ [ 1.239329 2.983674 3.512225 ] [ 2.999663 5.449943 1.062375 ] [ 1.178907 3.936124 1.554887 ] [ 2.122325 5.087093 3.38156 ] [ 3.136296 3.082629 1.288456 ] [ 5.117946 4.70791 1.219676 ] [ 3.839933 3.58316 3.463374 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.239329e-10 2.983674e-10 3.512225e-10 ] [ 2.999663e-10 5.449943e-10 1.062375e-10 ] [ 1.178907e-10 3.936124e-10 1.554887e-10 ] [ 2.122325e-10 5.087093000000001e-10 3.38156e-10 ] [ 3.136296e-10 3.082629e-10 1.288456e-10 ] [ 5.117946e-10 4.70791e-10 1.219676e-10 ] [ 3.839933e-10 3.58316e-10 3.463374e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.0517172 -1.9457269 2.0373938 ] [ -0.9119053 2.420093 -0.6090269 ] [ -2.9020045 0.3177135 -2.5780859 ] [ 0.1724544 3.1663009 1.3657038 ] [ 2.1429962 -2.5920977 -1.7608469 ] [ 0.644896 -0.5873134 0.4598877 ] [ 1.9052804 -0.7789693 1.0849744 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.685036709533238e-09 -3.117398149641659e-09 3.26426471372287e-09 ] [ -1.46103335204361e-09 3.877416424761734e-09 -9.757686606182996e-10 ] [ -4.649523763356393e-09 5.090331418125408e-10 -4.130548955394127e-09 ] [ 2.763024078340915e-10 5.072973276397998e-09 2.188098699297719e-09 ] [ 3.43345841010324e-09 -4.152998333769453e-09 -2.821187735988156e-09 ] [ 1.033237294047437e-09 -9.409797985625588e-10 7.368213211334842e-10 ] [ 3.052595712948473e-09 -1.248046400780942e-09 1.738320617846507e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -15.679079 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.512065380947625e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.9283754 3.488322 3.28389 ] [ 2.6456501 5.5334702 1.5278321 ] [ 1.3381706 3.728433 1.0229898 ] [ 2.4224274 5.1807214 3.7746593 ] [ 3.2749133 2.5083479 0.7104245 ] [ 4.5594303 4.2882634 1.430939 ] [ 4.4654319 4.102975 3.7318182 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.283754e-11 3.488322e-10 3.28389e-10 ] [ 2.6456501e-10 5.5334702e-10 1.5278321e-10 ] [ 1.3381706e-10 3.728433e-10 1.0229898e-10 ] [ 2.4224274e-10 5.180721400000001e-10 3.7746593e-10 ] [ 3.2749133e-10 2.5083479e-10 7.104245e-11 ] [ 4.5594303e-10 4.2882634e-10 1.430939e-10 ] [ 4.4654319e-10 4.102975e-10 3.7318182e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.83e-05 1.6e-06 1.62e-05 ] [ -1.25e-05 -1.01e-05 -3.59e-05 ] [ 5.23e-05 3.04e-05 1.33e-05 ] [ -4.26e-05 -2.91e-05 -8.5e-06 ] [ -3.6e-05 1.17e-05 -1.49e-05 ] [ -6.7e-06 -1.86e-05 -1.49e-05 ] [ 2.72e-05 1.42e-05 4.47e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.931983216064e-14 2.56348259328e-15 2.595526125696e-14 ] [ -2.002720776e-14 -1.618198387008e-14 -5.751814068672e-14 ] [ 8.379383726784e-14 4.870616927232e-14 2.130894905664e-14 ] [ -6.825272404608e-14 -4.662333966527999e-14 -1.36185012768e-14 ] [ -5.76783583488e-14 1.874546646336e-14 -2.387243164992e-14 ] [ -1.073458335936e-14 -2.980048514688e-14 -2.387243164992e-14 ] [ 4.357920408576e-14 2.275090801536e-14 7.161729494976001e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.636824 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.985948369876434e-18 } }