{ "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" [ [ 2.682391 2.686577 1.562325 ] [ 1.212844 1.781832 3.455784 ] [ 1.883235 4.08794 3.099932 ] [ 4.668223 1.307552 1.415877 ] [ 3.293332 1.297731 3.803317 ] [ 4.485506 3.146522 2.925064 ] [ 3.343094 3.696236 5.003524 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.682391e-10 2.686577e-10 1.562325e-10 ] [ 1.212844e-10 1.781832e-10 3.455784e-10 ] [ 1.883235e-10 4.08794e-10 3.099932e-10 ] [ 4.668223000000001e-10 1.307552e-10 1.415877e-10 ] [ 3.293332e-10 1.297731e-10 3.803317e-10 ] [ 4.485506e-10 3.146522e-10 2.925064e-10 ] [ 3.343094e-10 3.696236e-10 5.003524e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.5310535 -0.2850125 -2.5101115 ] [ -1.2981816 0.7025002 -0.3447948 ] [ -0.5487185 0.5780636 1.574875 ] [ -0.3377084 -0.0343035 0.4518792 ] [ 1.759245 -0.3553625 1.9275778 ] [ 1.4844742 0.663012 0.2619236 ] [ -0.5280572 -1.2688974 -1.3613494 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.508415091039189e-10 -4.56640367897925e-10 -4.02164199403469e-09 ] [ -2.079916226208734e-09 1.125529405820327e-09 -5.524221720847031e-10 ] [ -8.791439593435289e-10 9.261599928859223e-10 2.52322792647075e-09 ] [ -5.410685075855256e-10 -5.4960266164419e-11 7.239902956306128e-10 ] [ 2.818621232481329e-09 -5.69353494099825e-10 3.088320111377125e-09 ] [ 2.378389877015843e-09 1.062262334461608e-09 4.196478718131623e-10 ] [ -8.460409072554647e-10 -2.032997765223351e-09 -2.181122199389919e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.842466005765544 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.858678212737686e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6935548 2.9388275 1.486748 ] [ 1.2889329 1.6823071 2.9790073 ] [ 1.7168762 3.9871114 3.4169964 ] [ 4.3130675 1.2823998 2.1286722 ] [ 3.202289 1.1575343 4.1337348 ] [ 4.741006 3.5872032 2.5666683 ] [ 3.6128987 3.3690066 4.5539961 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6935548e-10 2.9388275e-10 1.486748e-10 ] [ 1.2889329e-10 1.6823071e-10 2.9790073e-10 ] [ 1.7168762e-10 3.9871114e-10 3.4169964e-10 ] [ 4.3130675e-10 1.2823998e-10 2.1286722e-10 ] [ 3.202289e-10 1.1575343e-10 4.1337348e-10 ] [ 4.741005999999999e-10 3.5872032e-10 2.5666683e-10 ] [ 3.6128987e-10 3.3690066e-10 4.5539961e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.73e-05 -5.3e-06 2.29e-05 ] [ 1.71e-05 -2.32e-05 -1.55e-05 ] [ 1.84e-05 5.1e-06 2.45e-05 ] [ -1e-05 -1.71e-05 -2.96e-05 ] [ -1.87e-05 2.32e-05 1.33e-05 ] [ -2.1e-06 8.3e-06 -6.1e-06 ] [ -2.2e-05 9.1e-06 -9.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.77176557682e-14 -8.4915361602e-15 3.66898449186e-14 ] [ 2.73972204414e-14 -3.71704979088e-14 -2.4833737827e-14 ] [ 2.94800500656e-14 8.1711008334e-15 3.925332753299999e-14 ] [ -1.602176634e-14 -2.73972204414e-14 -4.74244283664e-14 ] [ -2.99607030558e-14 3.71704979088e-14 2.13089492322e-14 ] [ -3.364570931399999e-15 1.32980660622e-14 -9.773277467399999e-15 ] [ -3.5247885948e-14 1.45798073694e-14 -1.53808956864e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.808943005765546 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.333960226207528e-18 } }