{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.70835 3.598 3.116557 ] [ 5.398567 2.472121 1.998263 ] [ 3.170959 1.761622 1.993892 ] [ 5.798068 2.225895 4.322659 ] [ 3.522139 1.857386 4.354431 ] [ 3.141461 3.938126 0.8725825 ] [ 4.820562 4.158888 3.263025 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.70835e-10 3.598e-10 3.116557e-10 ] [ 5.398567e-10 2.472121e-10 1.998263e-10 ] [ 3.170959e-10 1.761622e-10 1.993892e-10 ] [ 5.798068e-10 2.225895e-10 4.322659e-10 ] [ 3.522139e-10 1.857386e-10 4.354431e-10 ] [ 3.141461e-10 3.938126e-10 8.725825e-11 ] [ 4.820562e-10 4.158888e-10 3.263025e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.2030989 4.3119464 2.1945837 ] [ 1.3803832 -2.0695457 -3.3432869 ] [ 0.6950123 -3.8016152 -2.7406478 ] [ 0.1166012 -0.7328461 0.8733101 ] [ -0.0589129 -2.3461758 2.6990863 ] [ 0.5271259 0.0836085 -0.8842021 ] [ 1.5428893 4.5546278 1.2011567 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.734106792490197e-09 6.908499712222725e-09 3.516110696528761e-09 ] [ 2.211617690785091e-09 -3.31577773621717e-09 -5.356536107806907e-09 ] [ 1.113532458228436e-09 -6.090858994717916e-09 -4.391001831006954e-09 ] [ 1.86815716597225e-10 -1.174148888064459e-09 1.39919702492851e-09 ] [ -9.438887104352832e-11 -3.758988015046737e-09 4.324412967381575e-09 ] [ 8.445487931981588e-10 1.339555840001568e-10 -1.416647932682264e-09 ] [ 2.471981164942478e-09 7.297318177605737e-09 1.924465182657279e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.27458 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.088128145173927e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.8513739 4.1322618 3.3160359 ] [ 5.3734614 2.2033312 1.5476739 ] [ 3.2292903 1.0682327 1.8924433 ] [ 5.5988868 2.5571394 3.8227177 ] [ 3.3147129 1.9091425 4.0434479 ] [ 3.2748652 3.4064366 1.1606599 ] [ 4.9175155 4.7354938 4.1384309 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8513739e-10 4.1322618e-10 3.3160359e-10 ] [ 5.3734614e-10 2.2033312e-10 1.5476739e-10 ] [ 3.2292903e-10 1.0682327e-10 1.8924433e-10 ] [ 5.5988868e-10 2.5571394e-10 3.8227177e-10 ] [ 3.3147129e-10 1.9091425e-10 4.043447900000001e-10 ] [ 3.2748652e-10 3.4064366e-10 1.1606599e-10 ] [ 4.917515500000001e-10 4.7354938e-10 4.138430900000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.3e-06 3.3e-06 1.11e-05 ] [ 1.97e-05 9.8e-06 -1.04e-05 ] [ -9e-07 -9.5e-06 1.05e-05 ] [ -2.35e-05 6.9e-06 -1.67e-05 ] [ -4.4e-06 6.3e-06 1.42e-05 ] [ 1.01e-05 9e-07 -7.6e-06 ] [ 4.2e-06 -1.78e-05 -1.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.491536090240001e-15 5.28718284864e-15 1.778416049088e-14 ] [ 3.156287942976e-14 1.570133088384e-14 -1.666263685632e-14 ] [ -1.44195895872e-15 -1.52206778976e-14 1.68228545184e-14 ] [ -3.76511505888e-14 1.105501868352e-14 -2.675634956736e-14 ] [ -7.04957713152e-15 1.009371271104e-14 2.275090801536e-14 ] [ 1.618198387008e-14 1.44195895872e-15 -1.217654231808e-14 ] [ 6.72914180736e-15 -2.851874385024e-14 -1.76239428288e-15 ] ] } "relaxed-potential-energy" { "source-value" -22.541842 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.611601224216751e-18 } }