{ "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" [ [ 1.919195 1.598632 0.607522 ] [ 2.894266 0.8592219 2.792014 ] [ 2.250891 3.034774 3.11288 ] [ 5.028948 2.389792 2.243338 ] [ 4.250492 2.740815 4.381763 ] [ 4.34969 4.079675 2.747402 ] [ 3.264148 3.629997 0.8600408 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.919195e-10 1.598632e-10 6.07522e-11 ] [ 2.894266e-10 8.592219e-11 2.792014e-10 ] [ 2.250891e-10 3.034774e-10 3.11288e-10 ] [ 5.028948e-10 2.389792e-10 2.243338e-10 ] [ 4.250492000000001e-10 2.740815e-10 4.381763e-10 ] [ 4.34969e-10 4.079675e-10 2.747402e-10 ] [ 3.264148e-10 3.629997e-10 8.600408e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.4399014 -1.1917991 -1.7331808 ] [ -1.5021714 -4.9110529 -1.1600806 ] [ -14.1197298 2.2782904 5.2687677 ] [ 13.8051696 -10.78807 -6.7237807 ] [ 2.1257668 -1.9173287 11.9618139 ] [ 3.201779 14.4697344 0.6185984 ] [ -3.0709128 2.0602259 -8.2321379 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.047997385371891e-10 -1.909472654710481e-09 -2.77686175737944e-09 ] [ -2.406743897514405e-09 -7.868374139892039e-09 -1.858654015563637e-09 ] [ -2.262230097757306e-08 3.65022361427308e-09 8.441496429366188e-09 ] [ 2.211831997929888e-08 -1.728439353755385e-08 -1.077268424092626e-08 ] [ 3.40585386823283e-09 -3.071899217528857e-09 1.916493857294047e-08 ] [ 5.129815458768404e-09 2.318307016486552e-08 9.911038941442867e-10 ] [ -4.920144692675466e-09 3.300845770546639e-09 -1.318933888258161e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -0.0026995013 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.325077870679208e-22 } "relaxed-configuration-positions" { "source-value" [ [ 2.4297962 1.8198962 0.3073069 ] [ 2.9809444 0.76858 2.3842977 ] [ 2.0025459 2.6654628 3.5472049 ] [ 5.2073928 1.5516719 2.2403577 ] [ 3.9204852 3.7139347 4.5190377 ] [ 4.839459 3.886141 2.3170521 ] [ 2.5770064 3.9272202 1.4297027 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4297962e-10 1.8198962e-10 3.073069e-11 ] [ 2.9809444e-10 7.6858e-11 2.3842977e-10 ] [ 2.0025459e-10 2.6654628e-10 3.5472049e-10 ] [ 5.2073928e-10 1.5516719e-10 2.2403577e-10 ] [ 3.9204852e-10 3.7139347e-10 4.519037700000001e-10 ] [ 4.839459e-10 3.886141e-10 2.3170521e-10 ] [ 2.5770064e-10 3.9272202e-10 1.4297027e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.04e-05 4.03e-05 2.77e-05 ] [ 1.17e-05 7.3e-06 7.5e-06 ] [ 5.3e-06 -3.87e-05 8.8e-06 ] [ -6.3e-06 -1.29e-05 3.7e-06 ] [ -2.82e-05 5.3e-06 1.12e-05 ] [ 2.33e-05 1.2e-05 -1.99e-05 ] [ 1.46e-05 -1.33e-05 -3.91e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.268440306432e-14 6.456771781824e-14 4.438029239616e-14 ] [ 1.874546646336e-14 1.169588933184e-14 1.2016324656e-14 ] [ 8.491536090240001e-15 -6.200423522496e-14 1.409915426304e-14 ] [ -1.009371271104e-14 -2.066807840832e-14 5.928053496960001e-15 ] [ -4.518138070656001e-14 8.491536090240001e-15 1.794437815296e-14 ] [ 3.733071526464e-14 1.92261194496e-14 -3.188331475392e-14 ] [ 2.339177866368e-14 -2.130894905664e-14 -6.264510587328001e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.906007 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.907552606248115e-18 } }