{ "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" [ [ 2.975716 3.919 3.294603 ] [ 5.229011 2.380728 1.260294 ] [ 3.72512 0.5184044 0.8589665 ] [ 3.15133 1.64182 3.064405 ] [ 5.039876 3.004083 3.766304 ] [ 5.090657 4.730463 1.850516 ] [ 3.207695 3.468122 0.7711985 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.975716e-10 3.919e-10 3.294603e-10 ] [ 5.229011e-10 2.380728e-10 1.260294e-10 ] [ 3.72512e-10 5.184044e-11 8.589665e-11 ] [ 3.151330000000001e-10 1.64182e-10 3.064405e-10 ] [ 5.039876e-10 3.004083e-10 3.766304e-10 ] [ 5.090657000000001e-10 4.730463000000001e-10 1.850516e-10 ] [ 3.207695e-10 3.468122e-10 7.711985e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.0455384 3.4076728 -0.32651 ] [ 2.8578163 -1.9464128 -0.7952927 ] [ -0.8566475 1.0913479 0.127133 ] [ -1.1381181 -3.3595495 -0.7339562 ] [ 3.0604645 -0.1415264 1.716273 ] [ 0.0005496 1.7983093 0.5300297 ] [ -1.8785264 -0.8498413 -0.5176768 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.277313801428639e-09 5.459693691496074e-09 -5.231266884574081e-10 ] [ 4.578726462401159e-09 -3.118497082585866e-09 -1.274199370632908e-09 ] [ -1.372500596766768e-09 1.748532090539176e-09 2.036895203321664e-10 ] [ -1.823466211529317e-09 -5.382591665320329e-09 -1.175927464331209e-09 ] [ 4.903404670688362e-09 -2.267502893059891e-10 2.749772475510278e-09 ] [ 8.805562707916801e-13 2.881209117427214e-09 8.492011936696378e-10 ] [ -3.009731079635589e-09 -1.361595862250279e-09 -8.294096660905576e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -22.233246 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.562158694569512e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.9137862 4.1115299 3.257612 ] [ 5.4990885 2.1579898 1.4613959 ] [ 3.5568025 0.8135613 0.6364053 ] [ 3.2782742 1.5664012 3.0062625 ] [ 5.1780253 3.1035924 3.8439234 ] [ 4.9562745 4.6556119 1.8367917 ] [ 3.0371537 3.2539338 0.8238962 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9137862e-10 4.1115299e-10 3.257612e-10 ] [ 5.499088500000001e-10 2.1579898e-10 1.4613959e-10 ] [ 3.5568025e-10 8.135613e-11 6.364053e-11 ] [ 3.2782742e-10 1.5664012e-10 3.0062625e-10 ] [ 5.1780253e-10 3.1035924e-10 3.8439234e-10 ] [ 4.9562745e-10 4.6556119e-10 1.8367917e-10 ] [ 3.0371537e-10 3.2539338e-10 8.238962e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2e-06 6.2e-06 5.8e-06 ] [ 5.11e-05 -8.6e-06 -2.03e-05 ] [ -1.31e-05 3.56e-05 -3.8e-06 ] [ -2.78e-05 -3.3e-06 3.18e-05 ] [ 1.73e-05 1.22e-05 3e-07 ] [ -1.3e-05 -1.12e-05 2.75e-05 ] [ -1.25e-05 -3.09e-05 -4.15e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.2043532416e-15 9.93349504896e-15 9.292624400640001e-15 ] [ 8.187122532288001e-14 -1.377871893888e-14 -3.252418540224e-14 ] [ -2.098851373248e-14 5.703748770048e-14 -6.08827115904e-15 ] [ -4.454051005824e-14 -5.28718284864e-15 5.094921654144e-14 ] [ 2.771765553984e-14 1.954655477376e-14 4.8065298624e-16 ] [ -2.08282960704e-14 -1.794437815296e-14 4.4059857072e-14 ] [ -2.002720776e-14 -4.950725758272e-14 -6.64903297632e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.005399 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.84608890507757e-18 } }