{ "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" [ [ 2.176849 1.681974 3.211274 ] [ 2.864727 5.809081 2.248654 ] [ 2.905691 3.612446 1.71083 ] [ 4.50356 2.090932 1.710731 ] [ 5.648677 2.904188 3.876429 ] [ 4.83518 4.522991 2.188517 ] [ 3.438619 4.083879 4.381538 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.176849e-10 1.681974e-10 3.211274e-10 ] [ 2.864727e-10 5.809081e-10 2.248654e-10 ] [ 2.905691e-10 3.612446e-10 1.71083e-10 ] [ 4.503560000000001e-10 2.090932e-10 1.710731e-10 ] [ 5.648677e-10 2.904188e-10 3.876429e-10 ] [ 4.835180000000001e-10 4.522991000000001e-10 2.188517e-10 ] [ 3.438619e-10 4.083879e-10 4.381538e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.195851 0.1582263 0.1087209 ] [ -1.3801538 3.7032057 -0.5472604 ] [ -3.30821 -1.6718919 -2.2858863 ] [ 1.5277867 -2.8647775 -1.2113949 ] [ 1.1590823 -0.6076037 1.0103079 ] [ 3.0248137 1.7132023 -1.1664891 ] [ -0.8274678 -0.4303612 4.092002 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.137878933603009e-10 2.53506478655687e-10 1.741900841723347e-10 ] [ -2.211250151468279e-09 5.933189594553299e-09 -8.768078183696564e-10 ] [ -5.300336718696768e-09 -2.678666114684891e-09 -3.662393587667015e-09 ] [ 2.447784132309183e-09 -4.589879534293872e-09 -1.940868587336354e-09 ] [ 1.857054562643092e-09 -9.73488442851577e-10 1.618691697189544e-09 ] [ 4.846285792415546e-09 2.744852671760788e-09 -1.868921564438033e-09 ] [ -1.32574956362481e-09 -6.89514653139433e-10 6.556109936666842e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -15.79575 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.53075813580016e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.7322177 2.7386714 3.7016155 ] [ 3.1431504 5.3374409 1.3492574 ] [ 2.5461276 3.0535295 1.5028225 ] [ 4.6562736 1.9895211 1.5930266 ] [ 5.4278283 3.244973 3.4427595 ] [ 5.1393194 5.4700562 2.6930675 ] [ 3.728386 2.8712987 5.045424 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7322177e-10 2.7386714e-10 3.7016155e-10 ] [ 3.1431504e-10 5.3374409e-10 1.3492574e-10 ] [ 2.5461276e-10 3.0535295e-10 1.5028225e-10 ] [ 4.656273599999999e-10 1.9895211e-10 1.5930266e-10 ] [ 5.4278283e-10 3.244973e-10 3.4427595e-10 ] [ 5.1393194e-10 5.4700562e-10 2.6930675e-10 ] [ 3.728386e-10 2.8712987e-10 5.045424e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.81e-05 -2.2e-06 7.4e-06 ] [ 6.4e-06 1.16e-05 -9e-07 ] [ 2.98e-05 -8.9e-06 3.84e-05 ] [ 1e-05 2.6e-06 -2.9e-06 ] [ -1.53e-05 2.1e-06 -1.88e-05 ] [ 8.8e-06 1.36e-05 -1.99e-05 ] [ -1.17e-05 -1.88e-05 -3.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.502116304448e-14 -3.52478856576e-15 1.185610699392e-14 ] [ 1.025393037312e-14 1.858524880128e-14 -1.44195895872e-15 ] [ 4.774486329984001e-14 -1.425937192512e-14 6.152358223872e-14 ] [ 1.6021766208e-14 4.16565921408e-15 -4.646312200320001e-15 ] [ -2.451330229824e-14 3.36457090368e-15 -3.012092047104e-14 ] [ 1.409915426304e-14 2.178960204288e-14 -3.188331475392e-14 ] [ -1.874546646336e-14 -3.012092047104e-14 -5.28718284864e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.442861 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.435525057726411e-18 } }