{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.301375 1.527111 2.019819 ] [ 1.794175 5.106546 1.47688 ] [ 0.9503771 3.237781 1.232452 ] [ 3.392468 3.669062 0.7528338 ] [ 3.101246 3.595776 2.776891 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.301375e-10 1.527111e-10 2.019819e-10 ] [ 1.794175e-10 5.106546e-10 1.47688e-10 ] [ 9.503771e-11 3.237781e-10 1.232452e-10 ] [ 3.392468e-10 3.669062e-10 7.528338e-11 ] [ 3.101246e-10 3.595776e-10 2.776891e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.9482642 -7.6025322 1.2050371 ] [ -0.3925825 32.1372712 -4.1432353 ] [ -15.8608358 -18.3526876 -5.2157467 ] [ 8.0987601 0.5745035 -26.6937897 ] [ 7.206394 -6.7565549 34.8477346 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.519286744098702e-09 -1.218059945007261e-08 1.930682284723121e-09 ] [ -6.28986508417305e-10 5.148958499716113e-08 -6.638194786823979e-09 ] [ -2.541186051447069e-08 -2.940424724382153e-08 -8.356547491602608e-09 ] [ 1.29756441965915e-08 9.204560838512189e-10 -4.276816613024987e-08 ] [ 1.15459160821978e-08 -1.082519438711821e-08 5.583222612395333e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -2.473171 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.962456788086413e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.3127401 1.6044836 2.1417553 ] [ 1.7608088 5.2295809 1.7737693 ] [ 0.6852513 3.0885683 0.749117 ] [ 3.3925426 3.4681478 0.4278296 ] [ 3.3882983 3.7454954 3.1664046 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3127401e-10 1.6044836e-10 2.1417553e-10 ] [ 1.7608088e-10 5.2295809e-10 1.7737693e-10 ] [ 6.852513e-11 3.0885683e-10 7.49117e-11 ] [ 3.3925426e-10 3.4681478e-10 4.278296e-11 ] [ 3.3882983e-10 3.7454954e-10 3.1664046e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.4e-06 2.92e-05 -1.34e-05 ] [ 5.9e-06 -3.39e-05 -7e-06 ] [ 2.41e-05 7.6e-06 1.5e-05 ] [ -1.8e-05 -1.7e-06 1.81e-05 ] [ -9.6e-06 -1.3e-06 -1.27e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.845223921599999e-15 4.67835577128e-14 -2.14691668956e-14 ] [ 9.452842140600001e-15 -5.431378789259999e-14 -1.1215236438e-14 ] [ 3.86124568794e-14 1.21765424184e-14 2.403264951e-14 ] [ -2.8839179412e-14 -2.7237002778e-15 2.899939707539999e-14 ] [ -1.53808956864e-14 -2.0828296242e-15 -2.03476432518e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.98496 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.561072940742464e-18 } }