{ "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" [ [ 2.887739 1.995765 3.859098 ] [ 2.327199 3.871069 1.984027 ] [ 1.151407 3.535975 3.566474 ] [ 2.937456 4.643275 4.143131 ] [ 3.294842 1.915913 1.493263 ] [ 5.055976 2.713207 3.11233 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.887739e-10 1.995765e-10 3.859098e-10 ] [ 2.327199e-10 3.871069e-10 1.984027e-10 ] [ 1.151407e-10 3.535975e-10 3.566474e-10 ] [ 2.937456e-10 4.643275e-10 4.143131e-10 ] [ 3.294842e-10 1.915913e-10 1.493263e-10 ] [ 5.055976000000001e-10 2.713207e-10 3.11233e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.3253728 0.0371622 0.0590798 ] [ 2.7396266 1.8000153 -4.9641605 ] [ -4.5764333 -1.6482974 4.1511404 ] [ 2.03424 -0.0686759 0.3318197 ] [ 0.9275909 -0.4377998 0.47586 ] [ -1.4503969 0.3175956 -0.0537394 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.213046932042343e-10 5.954040801749376e-11 9.465627432153986e-11 ] [ 4.389365688241793e-09 2.883942430742299e-09 -7.95346189499884e-09 ] [ -7.332254439910592e-09 -2.640863558405426e-09 6.650860098538361e-09 ] [ 3.259211769096192e-09 -1.100309213923987e-10 5.316337656608698e-10 ] [ 1.486164453646831e-09 -7.014326041509158e-10 7.624117667738881e-10 ] [ -2.323792004060796e-09 5.088442451889485e-10 -8.610001029581952e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -15.2128 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.437359249690624e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7087605 1.4700252 3.7890968 ] [ 2.1191936 4.0564445 1.6976783 ] [ 1.3637605 3.4233739 3.8897074 ] [ 3.3268588 4.7878084 3.642698 ] [ 3.4641884 2.1030923 1.5970643 ] [ 4.6718571 2.8344597 3.5420783 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7087605e-10 1.4700252e-10 3.7890968e-10 ] [ 2.1191936e-10 4.0564445e-10 1.6976783e-10 ] [ 1.3637605e-10 3.4233739e-10 3.8897074e-10 ] [ 3.3268588e-10 4.787808400000001e-10 3.642698e-10 ] [ 3.4641884e-10 2.1030923e-10 1.5970643e-10 ] [ 4.6718571e-10 2.8344597e-10 3.5420783e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1e-07 6e-06 -9.4e-06 ] [ -4.4e-06 -3.2e-06 5.9e-06 ] [ 1e-07 5.5e-06 3e-06 ] [ -6e-06 -1.6e-06 -6.2e-06 ] [ 1.7e-06 -1e-06 -1.8e-06 ] [ 8.6e-06 -5.8e-06 8.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.6021766208e-16 9.6130597248e-15 -1.506046023552e-14 ] [ -7.04957713152e-15 -5.126965186560001e-15 9.45284206272e-15 ] [ 1.6021766208e-16 8.8119714144e-15 4.8065298624e-15 ] [ -9.6130597248e-15 -2.56348259328e-15 -9.93349504896e-15 ] [ 2.72370025536e-15 -1.6021766208e-15 -2.88391791744e-15 ] [ 1.377871893888e-14 -9.292624400640001e-15 1.377871893888e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.513765 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.806014482518531e-18 } }