{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.673592 1.767732 1.794498 ] [ 2.791934 4.53061 0.3856556 ] [ 2.184868 4.104179 2.619474 ] [ 3.820974 5.464835 2.237655 ] [ 4.399704 3.304978 2.526424 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.673592000000001e-10 1.767732e-10 1.794498e-10 ] [ 2.791934e-10 4.53061e-10 3.856556e-11 ] [ 2.184868e-10 4.104179e-10 2.619474e-10 ] [ 3.820974e-10 5.464835e-10 2.237655e-10 ] [ 4.399704e-10 3.304978e-10 2.526424e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.1832182 -4.4226229 -1.7556896 ] [ -3.8107899 -2.1047608 -24.6601412 ] [ -51.7550496 -20.0785262 20.4808585 ] [ 32.1919642 46.8239787 1.6252125 ] [ 26.5570936 -20.2180688 4.3097598 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.100077778945059e-09 -7.085823012994698e-09 -2.812924830501704e-09 ] [ -6.10555848456077e-09 -3.372198546136305e-09 -3.950990169626686e-08 ] [ -8.292073047746439e-08 -3.216934525776026e-08 3.281395266261295e-08 ] [ 5.157721241887058e-08 7.502028396597718e-08 2.60387747133192e-09 ] [ 4.25491544823173e-08 -3.239291714908591e-08 6.904996392823685e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -1.8047122 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.891467694112534e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.8403843 1.3798144 2.1036125 ] [ 2.3007683 5.3922962 0.1855317 ] [ 2.0025343 3.8410748 2.2562517 ] [ 4.2073278 5.4419293 1.9536158 ] [ 4.5200572 3.1172193 3.0646949 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8403843e-10 1.3798144e-10 2.1036125e-10 ] [ 2.3007683e-10 5.3922962e-10 1.855317e-11 ] [ 2.0025343e-10 3.8410748e-10 2.2562517e-10 ] [ 4.2073278e-10 5.4419293e-10 1.9536158e-10 ] [ 4.5200572e-10 3.1172193e-10 3.0646949e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.3e-06 -5e-06 -2.34e-05 ] [ -4.4e-06 -1.68e-05 1.12e-05 ] [ -2.24e-05 2e-05 8e-07 ] [ 8.9e-06 1.56e-05 -2.02e-05 ] [ 1.57e-05 -1.38e-05 3.16e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.68500622784e-15 -8.010883104e-15 -3.749093292672001e-14 ] [ -7.04957713152e-15 -2.691656722944e-14 1.794437815296e-14 ] [ -3.588875630592e-14 3.2043532416e-14 1.28174129664e-15 ] [ 1.425937192512e-14 2.499395528448e-14 -3.236396774016e-14 ] [ 2.515417294656e-14 -2.211003736704e-14 5.062878121728e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.367078 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.622294972241002e-18 } }