{ "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" [ [ 2.743488 1.903222 1.191758 ] [ 2.092285 1.109675 3.649357 ] [ 1.94045 3.241003 2.726585 ] [ 4.050079 0.1031898 2.277213 ] [ 5.000478 2.032764 2.106801 ] [ 4.158728 1.007331 4.48257 ] [ 3.981083 3.39009 3.613579 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.743488e-10 1.903222e-10 1.191758e-10 ] [ 2.092285e-10 1.109675e-10 3.649357e-10 ] [ 1.94045e-10 3.241003e-10 2.726585e-10 ] [ 4.050079e-10 1.031898e-11 2.277213e-10 ] [ 5.000478000000001e-10 2.032764e-10 2.106801e-10 ] [ 4.158728e-10 1.007331e-10 4.48257e-10 ] [ 3.981083e-10 3.39009e-10 3.613579e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.6129241 -1.3274198 -1.8716971 ] [ -2.3350463 -1.164513 -0.5989584 ] [ -0.4504639 0.8216927 0.8814317 ] [ -1.2318187 -3.562333 -0.957399 ] [ 1.8912558 2.8116309 -0.22339 ] [ 1.1746613 1.1275821 1.4769893 ] [ 1.5643359 1.2933601 1.2930234 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.820126714354792e-10 -2.126760987068953e-09 -2.998789359545561e-09 ] [ -3.741156621168154e-09 -1.865755518589242e-09 -9.596371532180255e-10 ] [ -7.217227350405125e-10 1.316496844268372e-09 1.412209274206898e-09 ] [ -1.973591138464256e-09 -5.707486695127122e-09 -1.533922307214966e-09 ] [ 3.030125851676976e-09 4.504729331412391e-09 -3.5791023826926e-10 ] [ 1.882014887724064e-09 1.806585693536651e-09 2.366397745128016e-09 ] [ 2.50634242670736e-09 2.072191331567903e-09 2.071651878695236e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.513759064916393 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.645795891331473e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6433672 1.8708084 0.9905095 ] [ 2.1361813 0.9817404 3.3796005 ] [ 1.9933582 3.3716845 2.7961389 ] [ 3.9683769 -0.2956363 2.2403254 ] [ 4.873133 2.0414979 2.1631363 ] [ 4.3406573 1.2511258 4.5812266 ] [ 4.0115171 3.566054 3.8969257 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6433672e-10 1.8708084e-10 9.905095e-11 ] [ 2.1361813e-10 9.817404e-11 3.3796005e-10 ] [ 1.9933582e-10 3.3716845e-10 2.7961389e-10 ] [ 3.9683769e-10 -2.956363e-11 2.2403254e-10 ] [ 4.873133000000001e-10 2.0414979e-10 2.1631363e-10 ] [ 4.3406573e-10 1.2511258e-10 4.5812266e-10 ] [ 4.0115171e-10 3.566054e-10 3.8969257e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.86e-05 -3.46e-05 0.0001033 ] [ 6.89e-05 2.33e-05 -3.21e-05 ] [ -1.32e-05 -1.7e-05 4.45e-05 ] [ 2.88e-05 4.04e-05 -2.18e-05 ] [ -5.35e-05 -4.25e-05 3.14e-05 ] [ -0.0001208 2.87e-05 -8.56e-05 ] [ 5.12e-05 1.7e-06 -3.97e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.18440180724e-14 -5.54353115364e-14 1.655048462922e-13 ] [ 1.103899700826e-13 3.733071557219999e-14 -5.14298699514e-14 ] [ -2.11487315688e-14 -2.723700277799999e-14 7.129686021299999e-14 ] [ 4.614268705919999e-14 6.472793601359999e-14 -3.492745062119999e-14 ] [ -8.571644991899998e-14 -6.8092506945e-14 5.030834630759999e-14 ] [ -1.935429373872e-13 4.598246939579999e-14 -1.371463198704e-13 ] [ 8.20314436608e-14 2.7237002778e-15 -6.36064123698e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.04793206491639 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.891597504642841e-18 } }