{ "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" [ [ 1.180338 1.724614 2.454285 ] [ 2.279675 2.151595 5.035575 ] [ 1.206438 3.673046 1.250197 ] [ 2.791298 3.409437 3.168578 ] [ 3.407643 1.775427 1.527211 ] [ 3.723971 4.511514 1.482617 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.180338e-10 1.724614e-10 2.454285e-10 ] [ 2.279675e-10 2.151595e-10 5.035575e-10 ] [ 1.206438e-10 3.673046e-10 1.250197e-10 ] [ 2.791298e-10 3.409437e-10 3.168578e-10 ] [ 3.407643e-10 1.775427e-10 1.527211e-10 ] [ 3.723971e-10 4.511514e-10 1.482617e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.3731043 -1.5211802 0.1726813 ] [ 0.0846264 -0.092932 0.9829795 ] [ -0.5857927 1.1634704 -0.8877565 ] [ -0.1449682 0.2318723 1.8686001 ] [ 1.1021023 -1.2780097 -0.8666537 ] [ 0.9171364 1.4967792 -1.2698507 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.199955625504926e-09 -2.437199372543447e-09 2.766659439887442e-10 ] [ 1.355864406995376e-10 -1.48893478950888e-10 1.574906786601003e-09 ] [ -9.38543376307772e-10 1.864085089230634e-09 -1.422342720981621e-09 ] [ -2.322646627130388e-10 3.715003811318382e-10 2.993827418510063e-09 ] [ 1.765762553337658e-09 -2.04759727936535e-09 -1.388532307909646e-09 ] [ 1.469414510270877e-09 2.398104660497213e-09 -2.034525120208544e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.8795589 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.582879842380674e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.9109978 1.4290775 0.7902468 ] [ 3.3123208 3.0587058 5.641265 ] [ -0.6811446 3.0785841 0.6805412 ] [ 3.5898765 3.1844949 3.3619205 ] [ 2.8501741 1.4718611 2.0172841 ] [ 4.6071383 5.0229095 2.4272056 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.109978e-11 1.4290775e-10 7.902468e-11 ] [ 3.3123208e-10 3.0587058e-10 5.641265e-10 ] [ -6.811446e-11 3.0785841e-10 6.805412e-11 ] [ 3.5898765e-10 3.1844949e-10 3.3619205e-10 ] [ 2.8501741e-10 1.4718611e-10 2.0172841e-10 ] [ 4.6071383e-10 5.0229095e-10 2.4272056e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.3e-05 3.8e-06 -5.9e-06 ] [ -3.6e-06 -2.9e-06 1.64e-05 ] [ 1.32e-05 -1.3e-05 1.3e-06 ] [ 1.35e-05 -1.4e-06 -1.99e-05 ] [ -6.2e-06 1.98e-05 7.1e-06 ] [ -3.9e-06 -6.3e-06 1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.082829624199999e-14 6.088271209199999e-15 -9.452842140600001e-15 ] [ -5.767835882399999e-15 -4.6463122386e-15 2.62756967976e-14 ] [ 2.11487315688e-14 -2.082829624199999e-14 2.0828296242e-15 ] [ 2.162938455899999e-14 -2.2430472876e-15 -3.18833150166e-14 ] [ -9.9334951308e-15 3.17230973532e-14 1.13754541014e-14 ] [ -6.248488872599999e-15 -1.00937127942e-14 1.602176634e-15 ] ] } "relaxed-potential-energy" { "source-value" -13.241847 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.1215777854403e-18 } }