{ "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" [ [ 1.032434 0.1172693 0.4247075 ] [ 0.2432392 0.0735251 2.276612 ] [ 0.5624588 1.720194 2.530042 ] [ 2.331345 1.198395 0.9085221 ] [ 2.704395 0.5611016 2.497073 ] [ 2.283372 2.154556 2.294867 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.032434e-10 1.172693e-11 4.247075e-11 ] [ 2.432392e-11 7.35251e-12 2.276612e-10 ] [ 5.624588000000001e-11 1.720194e-10 2.530042e-10 ] [ 2.331345e-10 1.198395e-10 9.085221e-11 ] [ 2.704395e-10 5.611016e-11 2.497073e-10 ] [ 2.283372e-10 2.154556e-10 2.294867e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -15.2196426 -16.0177734 -15.7666116 ] [ -13.0231292 -26.8472523 3.0447032 ] [ -21.1542126 20.848071 10.1810364 ] [ 15.2172164 6.1202892 -47.9238375 ] [ 19.1553149 -40.3812213 30.4288344 ] [ 15.0244532 56.2778867 20.0358752 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.438455575155101e-08 -2.566330227018673e-08 -2.526089670287335e-08 ] [ -2.086535330580311e-08 -4.301404032216275e-08 4.878152324505028e-09 ] [ -3.389278513838839e-08 3.340229222017301e-08 1.631181862998348e-08 ] [ 2.43806685506016e-08 9.805784349562552e-09 -7.678245265411297e-08 ] [ 3.069019794969204e-08 -6.469784921924309e-08 4.875236747553541e-08 ] [ 2.407182785566653e-08 9.016711508163937e-08 3.210101108718007e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 13.933818 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.232443762200861e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.5146228 0.5338066 0.3659983 ] [ 0.5666605 -0.3806644 2.5880419 ] [ 0.0414733 1.9410543 2.2560213 ] [ 2.8185354 1.07935 0.5365633 ] [ 2.8705693 0.1648874 2.7586102 ] [ 2.3453828 2.486607 2.4265886 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.146228000000001e-11 5.338066000000001e-11 3.659983e-11 ] [ 5.666605e-11 -3.806644e-11 2.5880419e-10 ] [ 4.14733e-12 1.9410543e-10 2.2560213e-10 ] [ 2.8185354e-10 1.07935e-10 5.365633e-11 ] [ 2.8705693e-10 1.648874e-11 2.7586102e-10 ] [ 2.3453828e-10 2.486607e-10 2.4265886e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8e-06 -2.48e-05 -4.03e-05 ] [ -9.5e-06 -2.14e-05 1.53e-05 ] [ -2.64e-05 4.2e-05 3.08e-05 ] [ 1.16e-05 1.4e-06 -2.02e-05 ] [ 1.23e-05 -1.17e-05 5.3e-06 ] [ 4e-06 1.46e-05 9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.2817413072e-14 -3.97339805232e-14 -6.456771835019998e-14 ] [ -1.5220678023e-14 -3.42865799676e-14 2.45133025002e-14 ] [ -4.22974631376e-14 6.729141862799998e-14 4.93470403272e-14 ] [ 1.85852489544e-14 2.2430472876e-15 -3.236396800679999e-14 ] [ 1.97067725982e-14 -1.87454666178e-14 8.4915361602e-15 ] [ 6.408706535999999e-15 2.33917788564e-14 1.4419589706e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.513765 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.806014505636701e-18 } }