{ "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" [ [ 0.0900209 0.6645307 1.771827 ] [ 2.257627 0.9336486 1.950206 ] [ 2.208369 3.070111 3.037465 ] [ 1.738494 0.324563 4.412062 ] [ 4.235476 0.6031948 3.631674 ] [ 3.30736 2.214082 5.333714 ] [ 4.556657 2.857436 3.382282 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.002090000000001e-12 6.645307e-11 1.771827e-10 ] [ 2.257627e-10 9.336486e-11 1.950206e-10 ] [ 2.208369e-10 3.070111e-10 3.037465e-10 ] [ 1.738494e-10 3.24563e-11 4.412062e-10 ] [ 4.235476000000001e-10 6.031948e-11 3.631674e-10 ] [ 3.30736e-10 2.214082e-10 5.333714e-10 ] [ 4.556657000000001e-10 2.857436e-10 3.382282e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.9151069 -0.1652419 0.0476587 ] [ 1.0760444 0.0744561 0.9002271 ] [ 0.0872739 -0.3392737 0.4201667 ] [ 0.9244251 0.7325522 -0.5777138 ] [ -0.9777224 -0.8822889 0.2071077 ] [ -0.5036656 -0.4476882 -1.0690331 ] [ 0.3087516 1.0274843 0.0715866 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.466162880712763e-09 -2.647467089565715e-10 7.635765491772096e-11 ] [ 1.724013180622764e-09 1.192918226959469e-10 1.442322813030584e-09 ] [ 1.398282021860371e-10 -5.43576390192313e-10 6.731812635786874e-10 ] [ 1.481092282900702e-09 1.173678008355606e-09 -9.255995438735271e-10 ] [ -1.566483970912466e-09 -1.413582648371349e-09 3.318231149276601e-10 ] [ -8.069612490212046e-10 -7.172755674480345e-10 -1.712779839681348e-09 ] [ 4.946745951545933e-10 1.646211323699054e-09 1.146943768825613e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -6.602662158928926 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.057863094607678e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.4218125 0.449411 1.1723502 ] [ 1.6942525 1.2559073 2.8562713 ] [ 2.4386066 3.5434404 3.0710091 ] [ 2.1741665 0.0540255 4.8867416 ] [ 3.9498379 0.4076895 3.365945 ] [ 3.0709995 2.2517272 4.9356269 ] [ 4.6443285 2.7053651 3.2312859 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.218125e-11 4.49411e-11 1.1723502e-10 ] [ 1.6942525e-10 1.2559073e-10 2.8562713e-10 ] [ 2.4386066e-10 3.5434404e-10 3.0710091e-10 ] [ 2.1741665e-10 5.40255e-12 4.8867416e-10 ] [ 3.9498379e-10 4.076895e-11 3.365945e-10 ] [ 3.0709995e-10 2.2517272e-10 4.9356269e-10 ] [ 4.6443285e-10 2.7053651e-10 3.2312859e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.4e-05 -2.6e-05 -2.19e-05 ] [ -9.5e-06 8.3e-06 8.4e-06 ] [ 5.1e-06 -9.3e-06 9.6e-06 ] [ -4.49e-05 -2.98e-05 1.88e-05 ] [ -4.4e-06 5.6e-06 -8e-06 ] [ 2.43e-05 4.9e-06 4.6e-06 ] [ 4.34e-05 4.63e-05 -1.16e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.24304726912e-14 -4.16565921408e-14 -3.508766799552e-14 ] [ -1.52206778976e-14 1.329806595264e-14 1.345828361472e-14 ] [ 8.17110076608e-15 -1.490024257344e-14 1.538089555968e-14 ] [ -7.193773027392e-14 -4.774486329984001e-14 3.012092047104e-14 ] [ -7.04957713152e-15 8.972189076479999e-15 -1.28174129664e-14 ] [ 3.893289188544e-14 7.850665441919999e-15 7.370012455680001e-15 ] [ 6.953446534272e-14 7.418077754303999e-14 -1.858524880128e-14 ] ] } "relaxed-potential-energy" { "source-value" -7.700945158928928 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.233827429169887e-18 } }