{ "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" [ [ 1.009597 0.3628337 1.078601 ] [ 0.0352367 0.1167127 2.680629 ] [ 0.3335965 1.756245 2.167544 ] [ 2.066416 0.0072977 2.832654 ] [ 2.311694 1.962933 1.086024 ] [ 2.552148 1.611374 2.965257 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.009597e-10 3.628337e-11 1.078601e-10 ] [ 3.52367e-12 1.167127e-11 2.680629e-10 ] [ 3.335965e-11 1.756245e-10 2.167544e-10 ] [ 2.066416e-10 7.2977e-13 2.832654e-10 ] [ 2.311694e-10 1.962933e-10 1.086024e-10 ] [ 2.552148e-10 1.611374e-10 2.965257e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 15.0832437 -1.1221291 -9.6239518 ] [ -14.2784946 -7.3525098 11.1892489 ] [ -27.0994112 24.46907 4.3116188 ] [ 18.7262041 -17.9795527 13.4167649 ] [ 11.4826156 8.7409462 -10.6567982 ] [ -3.9141576 -6.7558246 -8.6368826 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.41660206210677e-08 -1.797849024351449e-09 -1.541927070070224e-08 ] [ -2.287667041681517e-08 -1.178001940281601e-08 1.79271531395902e-08 ] [ -4.34180434197979e-08 3.920377220971037e-08 6.907974896075118e-09 ] [ 3.0002686652535e-08 -2.880641922571161e-08 2.149602722665134e-08 ] [ 1.839717841152389e-08 1.400453976069109e-08 -1.707407306929326e-08 ] [ -6.271171848513517e-09 -1.08240243175224e-08 -1.383781149232117e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 6.6890147 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.071698305682252e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.8241875 0.1210314 0.6656031 ] [ 0.1659325 0.0941411 3.1055815 ] [ 0.2041462 2.2762317 1.8310049 ] [ 2.5654159 -0.3371008 2.4392288 ] [ 2.603632 1.8449916 1.1646578 ] [ 1.9453741 1.818101 3.6046328 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.241875e-11 1.210314e-11 6.656031e-11 ] [ 1.659325e-11 9.41411e-12 3.1055815e-10 ] [ 2.041462e-11 2.2762317e-10 1.8310049e-10 ] [ 2.5654159e-10 -3.371008e-11 2.4392288e-10 ] [ 2.603632e-10 1.8449916e-10 1.1646578e-10 ] [ 1.9453741e-10 1.818101e-10 3.6046328e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.32e-05 -1.06e-05 1.19e-05 ] [ -1.1e-06 1.47e-05 -4.58e-05 ] [ 1.51e-05 -1.82e-05 3.02e-05 ] [ -1.16e-05 1.7e-05 -1.29e-05 ] [ -2.28e-05 -2.63e-05 -5.1e-06 ] [ 7.2e-06 2.34e-05 2.18e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.11487315688e-14 -1.69830723204e-14 1.90659019446e-14 ] [ -1.7623942974e-15 2.35519965198e-14 -7.33796898372e-14 ] [ 2.41928671734e-14 -2.915961473879999e-14 4.838573434679999e-14 ] [ -1.85852489544e-14 2.723700277799999e-14 -2.06680785786e-14 ] [ -3.65296272552e-14 -4.21372454742e-14 -8.1711008334e-15 ] [ 1.15356717648e-14 3.749093323559999e-14 3.492745062119999e-14 ] ] } "relaxed-potential-energy" { "source-value" -23.430495 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.753979161205383e-18 } }