{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.711766 1.445938 2.481154 ] [ 1.786648 3.09956 4.150451 ] [ 2.046679 3.825969 2.202277 ] [ 4.127996 2.712807 1.52252 ] [ 4.061478 2.056421 3.562426 ] [ 4.12269 4.38488 2.772359 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.711766e-10 1.445938e-10 2.481154e-10 ] [ 1.786648e-10 3.09956e-10 4.150451000000001e-10 ] [ 2.046679e-10 3.825969e-10 2.202277e-10 ] [ 4.127996e-10 2.712807e-10 1.52252e-10 ] [ 4.061478e-10 2.056421e-10 3.562426e-10 ] [ 4.122690000000001e-10 4.38488e-10 2.772359e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.1614969 4.1061452 3.8226454 ] [ -1.2714331 -5.303379 -0.4934307 ] [ -4.1611621 2.6677477 -1.849221 ] [ 3.934873 -4.9373425 -5.6251577 ] [ -0.1159813 -4.1022937 2.9780298 ] [ 1.4522067 7.5691222 1.1671343 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.587465575116755e-10 6.578769841050141e-09 6.124553089488664e-09 ] [ -2.037060387731269e-09 -8.496949845041682e-09 -7.905631315249785e-10 ] [ -6.666916631979033e-09 4.274202995132973e-09 -2.962778652892397e-09 ] [ 6.304361526417159e-09 -7.910494722382223e-09 -9.012496155253102e-09 ] [ -1.858225273099911e-10 -6.572599057795128e-09 4.7713297216057e-09 ] [ 2.32669162330912e-09 1.212707062881826e-08 1.869955288793774e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.344467 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.176713331963711e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.6043037 0.961435 3.5824889 ] [ 0.5891556 3.1537817 3.3806563 ] [ 1.9209483 4.7780485 2.7309431 ] [ 5.3072174 2.9856709 2.1511902 ] [ 5.4077005 0.8718677 2.7582822 ] [ 4.0279315 4.7747712 2.0876264 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.043037e-11 9.614350000000001e-11 3.5824889e-10 ] [ 5.891556e-11 3.1537817e-10 3.3806563e-10 ] [ 1.9209483e-10 4.778048499999999e-10 2.7309431e-10 ] [ 5.3072174e-10 2.9856709e-10 2.1511902e-10 ] [ 5.4077005e-10 8.718677000000001e-11 2.7582822e-10 ] [ 4.0279315e-10 4.7747712e-10 2.0876264e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.1568239 0.1362841 0.0455086 ] [ -0.1445264 -0.3610661 0.0660989 ] [ 0.1994193 0.3232082 -0.131879 ] [ 0.3095346 -0.304634 0.0056997 ] [ 0.1014538 0.1296361 -0.0778073 ] [ -0.3090574 0.0765717 0.092379 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.512595861626771e-10 2.183511988067693e-10 7.29128149653389e-11 ] [ -2.315568191683891e-10 -5.784916639834349e-10 1.059021122405971e-10 ] [ 3.195049401963015e-10 5.178366216908506e-10 -2.112934505744832e-10 ] [ 4.959290994486797e-10 -4.880774727007872e-10 9.13192608557376e-12 ] [ 1.625469064513191e-10 2.076999286316909e-10 -1.246610369875718e-10 ] [ -4.951645407652339e-10 1.226813875549114e-10 1.480074740528832e-10 ] ] } "relaxed-potential-energy" { "source-value" -13.477143 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.159276342977837e-18 } }