{ "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" [ [ 2.61879 2.030613 1.31449 ] [ 0.5326459 2.599792 1.87087 ] [ 1.791863 1.569063 3.307142 ] [ 2.645053 4.244738 2.416375 ] [ 4.072939 1.030921 3.139936 ] [ 4.500349 3.153395 1.645552 ] [ 3.28786 3.426147 4.164789 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.61879e-10 2.030613e-10 1.31449e-10 ] [ 5.326459000000001e-11 2.599792e-10 1.87087e-10 ] [ 1.791863e-10 1.569063e-10 3.307142e-10 ] [ 2.645053e-10 4.244738e-10 2.416375e-10 ] [ 4.072939e-10 1.030921e-10 3.139936e-10 ] [ 4.500349e-10 3.153395e-10 1.645552e-10 ] [ 3.28786e-10 3.426147e-10 4.164789e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.2054434 -2.9035906 -7.0176307 ] [ -3.8760218 4.2862988 -0.9871595 ] [ 0.3579962 1.6720798 5.6201289 ] [ -5.6913583 -1.4853272 -0.8080397 ] [ 1.5102122 2.5970564 0.5467975 ] [ 2.4228941 -0.0840872 3.8278404 ] [ 3.0708342 -4.0824301 -1.181937 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.533509853977663e-09 -4.652064975694644e-09 -1.124348384094834e-08 ] [ -6.210071509671134e-09 6.867407727123096e-09 -1.581603871900618e-09 ] [ 5.73573141975241e-10 2.67896716367194e-09 9.004439129462422e-09 ] [ -9.118561208856033e-09 -2.379756514078326e-09 -1.294622316018246e-09 ] [ 2.419626679286934e-09 4.160943046979013e-09 8.760661708118881e-10 ] [ 3.881904281694257e-09 -1.347225459485338e-10 6.13287639703372e-09 ] [ 4.920018761593072e-09 -6.540774062270206e-09 -1.89367182865849e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.802229 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.332884496432776e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6605264 1.8769435 1.14743 ] [ 0.2680149 2.6844867 1.610751 ] [ 1.7695297 1.8623961 3.523993 ] [ 2.2913484 4.0660369 2.3777681 ] [ 4.1025363 1.0589884 3.0384016 ] [ 4.623774 3.2601697 1.8934437 ] [ 3.7337702 3.2456476 4.2673666 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.660526400000001e-10 1.8769435e-10 1.14743e-10 ] [ 2.680149e-11 2.6844867e-10 1.610751e-10 ] [ 1.7695297e-10 1.8623961e-10 3.523993e-10 ] [ 2.2913484e-10 4.0660369e-10 2.3777681e-10 ] [ 4.1025363e-10 1.0589884e-10 3.0384016e-10 ] [ 4.623774e-10 3.2601697e-10 1.8934437e-10 ] [ 3.7337702e-10 3.2456476e-10 4.2673666e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.15e-05 -4.1e-06 -1.26e-05 ] [ 1.57e-05 -1.17e-05 -1.99e-05 ] [ -3.7e-06 4.25e-05 5.27e-05 ] [ -3.2e-06 -1.2e-06 9.2e-06 ] [ 2.94e-05 -2.26e-05 -1.45e-05 ] [ 2.78e-05 2.01e-05 2.9e-06 ] [ -3.46e-05 -2.29e-05 -1.78e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.04685635552e-14 -6.568924145279999e-15 -2.018742542208e-14 ] [ 2.515417294656e-14 -1.874546646336e-14 -3.188331475392e-14 ] [ -5.928053496960001e-15 6.8092506384e-14 8.443470791616e-14 ] [ -5.126965186560001e-15 -1.92261194496e-15 1.474002491136e-14 ] [ 4.710399265152e-14 -3.620919163008e-14 -2.32315610016e-14 ] [ 4.454051005824e-14 3.220375007808e-14 4.646312200320001e-15 ] [ -5.543531107968001e-14 -3.668984461632e-14 -2.851874385024e-14 ] ] } "relaxed-potential-energy" { "source-value" -25.837867 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.139682643873984e-18 } }