{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.41852 0 0 ] "si-unit" "m" "si-value" [ 5.418520000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.038783 5.47951 0 ] "si-unit" "m" "si-value" [ 3.8783e-12 5.479510000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.00323821 0.0198894 5.39896 ] "si-unit" "m" "si-value" [ 3.23821e-13 1.98894e-12 5.39896e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0136142 -0.0297439 -0.141562 ] [ 1.34075 1.30471 1.3715 ] [ -0.0280615 2.73239 2.73273 ] [ 1.33689 4.08129 3.93514 ] [ 2.80172 0.157681 2.72105 ] [ 4.07194 1.39009 4.01929 ] [ 2.65272 2.79754 0.0144035 ] [ 4.02421 4.07244 1.32124 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.36142e-12 -2.97439e-12 -1.41562e-11 ] [ 1.34075e-10 1.30471e-10 1.3715e-10 ] [ -2.80615e-12 2.73239e-10 2.73273e-10 ] [ 1.33689e-10 4.08129e-10 3.93514e-10 ] [ 2.80172e-10 1.57681e-11 2.72105e-10 ] [ 4.07194e-10 1.39009e-10 4.01929e-10 ] [ 2.65272e-10 2.79754e-10 1.44035e-12 ] [ 4.02421e-10 4.072440000000001e-10 1.32124e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.2349654 -0.4791778 2.0334753 ] [ -0.5702167 1.2514444 -0.9324341 ] [ 0.0698517 -0.4648921 -1.7335117 ] [ 1.4077194 1.4662557 0.4298567 ] [ -1.6086146 -3.0151037 -0.7829372 ] [ -0.3216681 1.4503282 1.506984 ] [ 0.0135035 -1.7612876 -0.70614 ] [ 1.2443902 1.552433 0.1847069 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.764560705769203e-10 -7.677274683663782e-10 3.257986584634266e-09 ] [ -9.135878655297274e-10 2.005034959911084e-09 -1.493924115456689e-09 ] [ 1.119147606631354e-10 -7.448392538146157e-10 -2.777391917623264e-09 ] [ 2.255415111326604e-09 2.349200602654739e-09 6.887063550342393e-10 ] [ -2.577284703997544e-09 -4.830728657427577e-09 -1.254403677394614e-09 ] [ -5.153691094771565e-10 2.323681934526946e-09 2.414454532719667e-09 ] [ 2.16349919989728e-11 -2.821893815224942e-09 -1.131360999011712e-09 ] [ 1.993732885592636e-09 2.487271857958406e-09 2.959330768804436e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.414978 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.834322639854634e-18 } }