{ "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" [ [ 0.0964554 0.9453783 1.033805 ] [ 0.3537174 0.7305408 2.827753 ] [ 0.9097692 2.353277 1.204642 ] [ 0.0320969 2.73021 2.755149 ] [ 2.067566 0.358515 1.282199 ] [ 2.580778 1.703479 2.85822 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.64554e-12 9.453783e-11 1.033805e-10 ] [ 3.537174000000001e-11 7.305408e-11 2.827753e-10 ] [ 9.097692e-11 2.353277e-10 1.204642e-10 ] [ 3.20969e-12 2.73021e-10 2.755149e-10 ] [ 2.067566e-10 3.58515e-11 1.282199e-10 ] [ 2.580778e-10 1.703479e-10 2.85822e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -24.5506418 -11.0795821 -24.3367893 ] [ -3.6297508 -18.4792062 28.0140384 ] [ 13.7304981 22.5331168 -19.2312712 ] [ -10.8549538 16.6024986 15.1837165 ] [ 18.9592586 -11.1235421 -3.7541791 ] [ 6.3455896 1.5467151 4.1244847 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.933446431759523e-08 -1.775144740885417e-08 -3.89918348417956e-08 ] [ -5.815501871090097e-09 -2.960695214458241e-08 4.488343737867344e-08 ] [ 2.199868304775882e-08 3.610203293071571e-08 -3.081189310490436e-08 ] [ -1.739155319822412e-08 2.660013510378473e-08 2.43269955931552e-08 ] [ 3.037608087662134e-08 -1.782187909310453e-08 -6.014857984315986e-09 ] [ 1.016675530231162e-08 2.478110772258334e-09 6.608152959187302e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 13.557104220918061 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.172087542850392e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.2973093 0.9784069 0.9931536 ] [ 0.5485484 0.3030767 3.1645939 ] [ 1.464922 2.6373932 0.8226634 ] [ -0.0095931 2.6274719 2.7494292 ] [ 2.0230514 0.312994 1.2378243 ] [ 2.3107636 1.9620575 2.9941035 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -2.973093e-11 9.784069e-11 9.931536e-11 ] [ 5.485484000000001e-11 3.030767e-11 3.1645939e-10 ] [ 1.464922e-10 2.6373932e-10 8.226634000000001e-11 ] [ -9.5931e-13 2.6274719e-10 2.7494292e-10 ] [ 2.0230514e-10 3.12994e-11 1.2378243e-10 ] [ 2.3107636e-10 1.9620575e-10 2.9941035e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 7.08e-05 4.44e-05 1.29e-05 ] [ -2.55e-05 -2.28e-05 2e-06 ] [ -6.39e-05 -4.89e-05 1.26e-05 ] [ -1.6e-06 5.4e-06 -2.61e-05 ] [ -1.34e-05 7.7e-06 -1.41e-05 ] [ 3.36e-05 1.4e-05 1.27e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.1343410475264e-13 7.113664196352e-14 2.066807840832e-14 ] [ -4.08555038304e-14 -3.652962695424e-14 3.2043532416e-15 ] [ -1.0237908606912e-13 -7.834643675712001e-14 2.018742542208e-14 ] [ -2.56348259328e-15 8.65175375232e-15 -4.181680980288e-14 ] [ -2.146916671872e-14 1.233675998016e-14 -2.259069035328e-14 ] [ 5.383313445888e-14 2.24304726912e-14 2.034764308416e-14 ] ] } "relaxed-potential-energy" { "source-value" -6.737433279081937 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.079455808394496e-18 } }