{ "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" [ [ 2.872972 1.012553 2.780557 ] [ 2.489863 2.81954 0.4602746 ] [ 1.064652 2.650766 2.601591 ] [ 2.280466 2.401905 4.700098 ] [ 2.677321 4.010574 3.508674 ] [ 4.446125 3.093023 2.174548 ] [ 4.337554 1.939772 4.152011 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.872972e-10 1.012553e-10 2.780557e-10 ] [ 2.489863e-10 2.81954e-10 4.602746e-11 ] [ 1.064652e-10 2.650766e-10 2.601591e-10 ] [ 2.280466e-10 2.401905e-10 4.700098e-10 ] [ 2.677321e-10 4.010574e-10 3.508674e-10 ] [ 4.446125000000001e-10 3.093023e-10 2.174548e-10 ] [ 4.337554e-10 1.939772e-10 4.152011e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.993138 -4.5220012 -3.590485 ] [ 0.0808418 0.5076542 0.571052 ] [ -3.3382198 -0.7355384 -3.4510539 ] [ -6.8102426 -5.784212 9.6352265 ] [ 2.0169365 11.259407 -3.5998895 ] [ 0.7112113 0.9007406 -4.4248993 ] [ 9.3326107 -1.6260503 4.8600491 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.193359131937492e-09 -7.24504466155996e-09 -5.75259117172749e-09 ] [ 1.295228430105012e-10 8.133516973919627e-10 9.14926171198968e-10 ] [ -5.348417762716153e-09 -1.178462437889745e-09 -5.529197921254572e-09 ] [ -1.091121156559141e-08 -9.267329312502407e-09 1.54373347615976e-08 ] [ 3.23148853256174e-09 1.803955880809603e-08 -5.767658841881943e-09 ] [ 1.139486126696764e-09 1.44314554261514e-09 -7.089470266262955e-09 ] [ 1.495249079775838e-08 -2.60521979636869e-09 7.78665710811273e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.058619 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.771786096610844e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.869791 0.7982007 2.797636 ] [ 2.468485 2.9944366 0.4454754 ] [ 1.0707476 2.6051265 2.407999 ] [ 2.2309726 2.3528822 4.8345904 ] [ 2.6043411 4.4093208 3.4137895 ] [ 4.2408522 2.9992556 2.1330506 ] [ 4.6837636 1.7689105 4.3452127 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.869791e-10 7.982007e-11 2.797636e-10 ] [ 2.468485e-10 2.9944366e-10 4.454754000000001e-11 ] [ 1.0707476e-10 2.6051265e-10 2.407999e-10 ] [ 2.2309726e-10 2.3528822e-10 4.8345904e-10 ] [ 2.6043411e-10 4.4093208e-10 3.4137895e-10 ] [ 4.2408522e-10 2.9992556e-10 2.1330506e-10 ] [ 4.6837636e-10 1.7689105e-10 4.3452127e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.71e-05 9e-07 8.2e-06 ] [ -2.99e-05 -2.2e-06 -2.37e-05 ] [ -1.88e-05 1.73e-05 -3.3e-06 ] [ -2.01e-05 -1.28e-05 4.9e-06 ] [ 1.11e-05 -7.9e-06 -5e-07 ] [ 3.03e-05 7.2e-06 -2e-06 ] [ 1.04e-05 -2.4e-06 1.64e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.73972204414e-14 1.4419589706e-15 1.31378483988e-14 ] [ -4.790508135659999e-14 -3.5247885948e-15 -3.79715862258e-14 ] [ -3.012092071919999e-14 2.77176557682e-14 -5.2871828922e-15 ] [ -3.22037503434e-14 -2.05078609152e-14 7.850665506599998e-15 ] [ 1.77841606374e-14 -1.26571954086e-14 -8.010883169999999e-16 ] [ 4.854595201019999e-14 1.15356717648e-14 -3.204353268e-15 ] [ 1.66626369936e-14 -3.845223921599999e-15 2.62756967976e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.543705 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.650593759078897e-18 } }