{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.500338 2.7906 1.855645 ] [ 0.2759319 4.819421 1.912518 ] [ 2.741561 4.698408 2.586297 ] [ 3.692301 2.569506 2.304209 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.500338e-10 2.7906e-10 1.855645e-10 ] [ 2.759319e-11 4.819421e-10 1.912518e-10 ] [ 2.741561e-10 4.698407999999999e-10 2.586297e-10 ] [ 3.692301e-10 2.569506e-10 2.304209e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -8.7852643 -10.6474765 -4.2206931 ] [ -5.0889248 3.522 -0.7831649 ] [ 6.3017162 11.8672863 4.4339205 ] [ 7.5724729 -4.7418099 0.5699375 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.407554506900888e-08 -1.705913791881741e-08 -6.762295808391877e-09 ] [ -8.153356339569316e-09 5.642866058457599e-09 -1.25476849301117e-09 ] [ 1.009646236655662e-08 1.901348866220013e-08 7.103923763585847e-09 ] [ 1.213243904202158e-08 -7.597216962057986e-09 9.131405378172e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -0.42024224 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.733022920006226e-20 } "relaxed-configuration-positions" { "source-value" [ [ 1.1749674 2.3306129 1.642696 ] [ 0.6286564 4.6783101 2.0073004 ] [ 2.9301002 5.108356 2.6866317 ] [ 3.476408 2.760656 2.3220409 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1749674e-10 2.3306129e-10 1.642696e-10 ] [ 6.286564e-11 4.6783101e-10 2.0073004e-10 ] [ 2.9301002e-10 5.108356e-10 2.6866317e-10 ] [ 3.476408e-10 2.760656e-10 2.3220409e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.2e-06 6.6e-06 1.08e-05 ] [ 8.4e-06 -3.2e-06 -6.9e-06 ] [ -6.9e-06 -8.3e-06 4.8e-06 ] [ -5.8e-06 4.8e-06 -8.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.72914180736e-15 1.057436569728e-14 1.730350750464e-14 ] [ 1.345828361472e-14 -5.126965186560001e-15 -1.105501868352e-14 ] [ -1.105501868352e-14 -1.329806595264e-14 7.69044777984e-15 ] [ -9.292624400640001e-15 7.69044777984e-15 -1.409915426304e-14 ] ] } "relaxed-potential-energy" { "source-value" -8.104631 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.298505030841092e-18 } }