{ "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" [ [ 2.966235 1.459279 2.017921 ] [ 1.582263 2.973277 1.988687 ] [ 1.824476 2.329709 3.996255 ] [ 2.988754 4.654766 3.111716 ] [ 4.721481 3.212435 2.659559 ] [ 3.387912 3.682172 0.4517977 ] [ 4.184602 3.482657 5.105901 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.966235e-10 1.459279e-10 2.017921e-10 ] [ 1.582263e-10 2.973277e-10 1.988687e-10 ] [ 1.824476e-10 2.329709e-10 3.996255e-10 ] [ 2.988754e-10 4.654766e-10 3.111716e-10 ] [ 4.721481e-10 3.212435e-10 2.659559e-10 ] [ 3.387912e-10 3.682172e-10 4.517977e-11 ] [ 4.184602e-10 3.482657e-10 5.105901e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.2072695 -7.7483413 -1.3065411 ] [ -8.6243188 3.3931948 -4.5619546 ] [ -2.0729572 -2.2331843 7.9208461 ] [ -0.7731262 6.3985654 1.6213807 ] [ 5.9095735 -1.1581204 -0.2339993 ] [ 1.3913496 1.9612565 -5.1421706 ] [ -0.0377904 -0.6133707 1.7024387 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.740788830304905e-09 -1.241421128083908e-08 -2.093309604534315e-09 ] [ -1.381768195168591e-08 5.436497378380132e-09 -7.309057005271015e-09 ] [ -3.32124356175903e-09 -3.577955675397614e-09 1.269059443837486e-08 ] [ -1.238684722567945e-09 1.02516318905398e-08 2.597738250956339e-09 ] [ 9.468180500599228e-09 -1.855513428951545e-09 -3.749082077435654e-10 ] [ 2.229187800479432e-09 3.142279311692035e-09 -8.238665515485108e-09 ] [ -6.054689537068032e-11 -9.827281954237306e-10 2.727607483485145e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.1393298 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.23411405214074e-19 } "relaxed-configuration-positions" { "source-value" [ [ 3.5567713 0.7209002 2.5833598 ] [ 1.45084 3.7917544 2.0833782 ] [ 1.9402419 2.0659681 3.7234727 ] [ 2.5481831 5.3786589 3.4977658 ] [ 4.8989568 2.686216 2.3404595 ] [ 3.3910116 3.5729718 0.74962 ] [ 3.8697182 3.5778256 4.3537808 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.5567713e-10 7.209002e-11 2.5833598e-10 ] [ 1.45084e-10 3.7917544e-10 2.0833782e-10 ] [ 1.9402419e-10 2.0659681e-10 3.7234727e-10 ] [ 2.5481831e-10 5.3786589e-10 3.4977658e-10 ] [ 4.8989568e-10 2.686216e-10 2.3404595e-10 ] [ 3.3910116e-10 3.5729718e-10 7.4962e-11 ] [ 3.8697182e-10 3.5778256e-10 4.3537808e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8e-06 -2.8e-06 -5.9e-06 ] [ 2.86e-05 -2.8e-06 -1.61e-05 ] [ -4.3e-06 9.6e-06 -1.36e-05 ] [ -1.26e-05 5.8e-06 3.13e-05 ] [ -1.44e-05 -1.06e-05 -5.3e-06 ] [ -1.46e-05 -2.04e-05 8.8e-06 ] [ 9.4e-06 2.12e-05 9e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.28174129664e-14 -4.48609453824e-15 -9.45284206272e-15 ] [ 4.582225135488e-14 -4.48609453824e-15 -2.579504359488e-14 ] [ -6.889359469440001e-15 1.538089555968e-14 -2.178960204288e-14 ] [ -2.018742542208e-14 9.292624400640001e-15 5.014812823104e-14 ] [ -2.307134333952e-14 -1.698307218048e-14 -8.491536090240001e-15 ] [ -2.339177866368e-14 -3.268440306432e-14 1.409915426304e-14 ] [ 1.506046023552e-14 3.396614436096001e-14 1.44195895872e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.906007 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.907552606248115e-18 } }