{ "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" [ [ -1.0334053 -0.2896451 -2.5630687 ] [ -2.0586391 0.0766391 -0.4919069 ] [ -1.0925356 1.5220753 1.0002525 ] [ 0.2160772 -0.7559718 -0.0298637 ] [ 1.8651655 -1.787461 1.5773305 ] [ 1.9804731 1.3872224 0.4630432 ] [ 0.1228641 -0.152859 0.0442132 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.65569781147081e-09 -4.640626075492781e-10 -4.106488748644249e-09 ] [ -3.298303436684754e-09 1.227893742591533e-10 -7.881217347902036e-10 ] [ -1.750434995711701e-09 2.438633460757146e-09 1.602581170396752e-09 ] [ 3.461938381279258e-10 -1.211200343944093e-09 -4.784692195058496e-11 ] [ 2.988324558022743e-09 -2.863828224791789e-09 2.527162050374774e-09 ] [ 3.173067698943301e-09 2.222575297130066e-09 7.418769894604186e-10 ] [ 1.968499885556333e-10 -2.449071160788672e-10 7.083735537075457e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -16.056462 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.572528802916361e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4126971 2.0906105 0.9428967 ] [ 1.2416918 2.0047709 2.9325249 ] [ 1.6303743 4.0856063 3.8578858 ] [ 4.3803472 1.5630133 2.0325029 ] [ 3.1589292 1.2799497 3.943134 ] [ 5.076717 3.6005421 2.8696346 ] [ 3.6678683 3.3798971 4.6872441 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4126971e-10 2.0906105e-10 9.428967000000001e-11 ] [ 1.2416918e-10 2.0047709e-10 2.9325249e-10 ] [ 1.6303743e-10 4.0856063e-10 3.8578858e-10 ] [ 4.3803472e-10 1.5630133e-10 2.0325029e-10 ] [ 3.1589292e-10 1.2799497e-10 3.943134e-10 ] [ 5.076717000000001e-10 3.600542100000001e-10 2.8696346e-10 ] [ 3.6678683e-10 3.3798971e-10 4.6872441e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.6e-06 -2.7e-06 -7.8e-06 ] [ 1.06e-05 2.7e-06 2.4e-06 ] [ -7.3e-06 6.8e-06 3e-06 ] [ -1.29e-05 5e-06 6.1e-06 ] [ 3.3e-06 -6.3e-06 6.1e-06 ] [ 6.5e-06 3.7e-06 -1e-06 ] [ -2.9e-06 -9.2e-06 -8.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.16565921408e-15 -4.32587687616e-15 -1.249697764224e-14 ] [ 1.698307218048e-14 4.32587687616e-15 3.84522388992e-15 ] [ -1.169588933184e-14 1.089480102144e-14 4.8065298624e-15 ] [ -2.066807840832e-14 8.010883104e-15 9.77327738688e-15 ] [ 5.28718284864e-15 -1.009371271104e-14 9.77327738688e-15 ] [ 1.04141480352e-14 5.928053496960001e-15 -1.6021766208e-15 ] [ -4.646312200320001e-15 -1.474002491136e-14 -1.425937192512e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.636824 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.985948369876434e-18 } }