{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.715482 1.558119 0.3191032 ] [ 2.111919 2.384646 2.793656 ] [ 0.6473775 3.949576 0.9928713 ] [ 3.842985 1.188798 1.171985 ] [ 3.145034 3.056438 0.3971002 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.715482e-10 1.558119e-10 3.191032e-11 ] [ 2.111919e-10 2.384646e-10 2.793656e-10 ] [ 6.473775000000001e-11 3.949576e-10 9.928713000000001e-11 ] [ 3.842985e-10 1.188798e-10 1.171985e-10 ] [ 3.145034e-10 3.056438e-10 3.971002e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.7159728 -2.9201812 -1.5340286 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 4.4723076 -3.5311102 2.5737843 ] [ 2.2436651 6.4512914 -1.0397557 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.076017460608871e-08 -4.678646047139689e-09 -2.457784758558555e-09 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 7.165426677746158e-09 -5.657462207908412e-09 4.123657032442093e-09 ] [ 3.594747768124894e-09 1.03361082550481e-08 -1.665872273883538e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -3.3434113 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.356735418578536e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.3266376 2.8171523 0.354404 ] [ 2.111919 2.384646 2.793656 ] [ -0.4954604 3.9941003 0.724423 ] [ 5.2342122 1.1104451 1.2634079 ] [ 3.2854892 1.8312333 0.5388248 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.3266376e-10 2.8171523e-10 3.54404e-11 ] [ 2.111919e-10 2.384646e-10 2.793656e-10 ] [ -4.954604e-11 3.9941003e-10 7.244230000000001e-11 ] [ 5.2342122e-10 1.1104451e-10 1.2634079e-10 ] [ 3.2854892e-10 1.8312333e-10 5.388248e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0664636 0.0388703 0.0050496 ] [ 0.0 0.0 0.0 ] [ 0.0013692 -0.006105 -0.0111582 ] [ -0.0012412 -0.00442 -0.0106147 ] [ 0.0663356 -0.0283452 0.0167233 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.064864260542029e-10 6.227708590348225e-11 8.09035106439168e-12 ] [ 0.0 0.0 0.0 ] [ 2.19370022919936e-12 -9.781288269984e-12 -1.787740717021056e-11 ] [ -1.98862162173696e-12 -7.081620663936001e-12 -1.700662417680576e-11 ] [ 1.062813474467405e-10 -4.541401675190016e-11 2.679368028262464e-11 ] ] } "relaxed-potential-energy" { "source-value" -8.4143691 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.348130545080194e-18 } }