{ "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" [ [ 2.528767 2.719521 3.332257 ] [ 2.679869 4.813542 3.129006 ] [ 6.091314 2.864553 1.221181 ] [ 3.782186 2.699172 1.048642 ] [ 4.900359 1.620716 3.350029 ] [ 4.704911 4.540373 1.710823 ] [ 4.562967 3.751533 4.052534 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.528767e-10 2.719521e-10 3.332257e-10 ] [ 2.679869e-10 4.813542e-10 3.129006e-10 ] [ 6.091314e-10 2.864553e-10 1.221181e-10 ] [ 3.782186e-10 2.699172e-10 1.048642e-10 ] [ 4.900359e-10 1.620716e-10 3.350029e-10 ] [ 4.704911e-10 4.540373e-10 1.710823e-10 ] [ 4.562967000000001e-10 3.751533e-10 4.052534e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.5744569 -5.831094 -0.5717191 ] [ -0.0979746 5.1847447 -0.9395221 ] [ 1.0417139 -3.990592 2.9072336 ] [ -3.0112901 -4.3443131 0.1372081 ] [ 1.0337144 0.8654533 -5.0031948 ] [ 0.0150486 6.0574749 1.8222263 ] [ 1.5932447 2.0583263 1.6477681 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.203814224200746e-10 -9.342442557457596e-09 -9.159949832315093e-10 ] [ -1.569726148454964e-10 8.30687681159534e-09 -1.505280355746611e-09 ] [ 1.669009669893012e-09 -6.393633258227327e-09 4.657901743499702e-09 ] [ -4.824618636415523e-09 -6.960356939600104e-09 2.198316118155354e-10 ] [ 1.656193057909329e-09 1.386609055078192e-09 -8.016001803910302e-09 ] [ 2.41105152944124e-11 9.705144745821486e-09 2.919528399720274e-09 ] [ 2.55265943058434e-09 3.297802303007674e-09 2.640015548070575e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.815942 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.014646261909923e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.586149 2.5475421 3.2744885 ] [ 2.6911277 4.9468974 3.1083989 ] [ 6.0782036 2.7536543 1.3712924 ] [ 3.6720667 2.52684 1.0753451 ] [ 4.8942197 1.6296005 3.1405277 ] [ 4.7127354 4.7470435 1.7472848 ] [ 4.615871 3.8578323 4.1271345 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.586149e-10 2.5475421e-10 3.2744885e-10 ] [ 2.6911277e-10 4.946897400000001e-10 3.1083989e-10 ] [ 6.0782036e-10 2.7536543e-10 1.3712924e-10 ] [ 3.6720667e-10 2.52684e-10 1.0753451e-10 ] [ 4.8942197e-10 1.6296005e-10 3.1405277e-10 ] [ 4.7127354e-10 4.747043500000001e-10 1.7472848e-10 ] [ 4.615871000000001e-10 3.8578323e-10 4.1271345e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.9e-06 1.06e-05 6.2e-06 ] [ 1.5e-05 5.5e-06 -1.41e-05 ] [ -1.71e-05 2.92e-05 -9e-07 ] [ 2.7e-05 -2.15e-05 3.15e-05 ] [ -1.86e-05 2.28e-05 -2.99e-05 ] [ -3.1e-06 -1.73e-05 -1.47e-05 ] [ -5e-06 -2.94e-05 2.17e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.0441356046e-15 1.69830723204e-14 9.9334951308e-15 ] [ 2.403264951e-14 8.811971486999999e-15 -2.25906905394e-14 ] [ -2.73972204414e-14 4.67835577128e-14 -1.4419589706e-15 ] [ 4.325876911799999e-14 -3.4446797631e-14 5.046856397099999e-14 ] [ -2.98004853924e-14 3.65296272552e-14 -4.790508135659999e-14 ] [ -4.9667475654e-15 -2.77176557682e-14 -2.35519965198e-14 ] [ -8.010883169999999e-15 -4.710399303959999e-14 3.476723295779999e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.361976 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.422565880326878e-18 } }