{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.6618616 0.5532969 2.6678 ] [ 1.355444 2.726321 1.335983 ] [ 0.8455628 2.30582 2.977156 ] [ 2.930365 0.9373095 0.4139469 ] [ 2.829062 1.427351 2.413715 ] [ 2.781652 2.87748 1.992398 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.618616000000001e-11 5.532969e-11 2.6678e-10 ] [ 1.355444e-10 2.726321e-10 1.335983e-10 ] [ 8.455628e-11 2.30582e-10 2.977156e-10 ] [ 2.930365e-10 9.373095e-11 4.139469e-11 ] [ 2.829062e-10 1.427351e-10 2.413715e-10 ] [ 2.781652e-10 2.87748e-10 1.992398e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.4610742 -15.198557 1.0526191 ] [ -24.4817413 11.6373437 -27.4018473 ] [ -15.283527 8.1813068 18.7542142 ] [ 2.5268268 -6.2351406 -8.1138119 ] [ 15.8634712 -34.3787722 14.6239767 ] [ 26.8360446 35.9938193 1.0848492 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.749605407694062e-09 -2.435077269529618e-08 1.686481712627537e-09 ] [ -3.92240735473338e-08 1.864508000435417e-08 -4.39025991107916e-08 ] [ -2.448690964276556e-08 1.310789848255206e-08 3.004756353271537e-08 ] [ 4.048422823770877e-09 -9.989796496720886e-09 -1.299975973174883e-08 ] [ 2.541608268137412e-08 -5.508086507064898e-08 2.343019357186394e-08 ] [ 4.299608325286609e-08 5.766845577575982e-08 1.738120025333584e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 18.08548 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.897613323194599e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.092347 0.3576094 2.7058059 ] [ 1.4589867 2.9620741 0.6407795 ] [ 0.5112313 2.5596723 2.8571806 ] [ 2.0401419 0.7600203 0.4894233 ] [ 3.4411821 0.9930702 2.4782365 ] [ 2.8600583 3.195132 2.6295732 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.092347e-10 3.576094e-11 2.7058059e-10 ] [ 1.4589867e-10 2.9620741e-10 6.407794999999999e-11 ] [ 5.112313000000001e-11 2.5596723e-10 2.8571806e-10 ] [ 2.0401419e-10 7.600203e-11 4.894233e-11 ] [ 3.4411821e-10 9.930702e-11 2.4782365e-10 ] [ 2.8600583e-10 3.195132e-10 2.6295732e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.23e-05 -6.9e-06 1.31e-05 ] [ 1.47e-05 1.02e-05 -5.5e-06 ] [ -1.8e-06 -8.7e-06 -1.11e-05 ] [ -1.27e-05 1.3e-06 6.7e-06 ] [ -8e-06 -1.04e-05 -9.5e-06 ] [ -4.5e-06 1.45e-05 6.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.970677243584e-14 -1.105501868352e-14 2.098851373248e-14 ] [ 2.355199632576e-14 1.634220153216e-14 -8.8119714144e-15 ] [ -2.88391791744e-15 -1.393893660096e-14 -1.778416049088e-14 ] [ -2.034764308416e-14 2.08282960704e-15 1.073458335936e-14 ] [ -1.28174129664e-14 -1.666263685632e-14 -1.52206778976e-14 ] [ -7.2097947936e-15 2.32315610016e-14 1.025393037312e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.567729 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.853354495955016e-18 } }