{ "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" [ [ 2.682391 2.686577 1.562325 ] [ 1.212844 1.781832 3.455784 ] [ 1.883235 4.08794 3.099932 ] [ 4.668223 1.307552 1.415877 ] [ 3.293332 1.297731 3.803317 ] [ 4.485506 3.146522 2.925064 ] [ 3.343094 3.696236 5.003524 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.682391e-10 2.686577e-10 1.562325e-10 ] [ 1.212844e-10 1.781832e-10 3.455784e-10 ] [ 1.883235e-10 4.08794e-10 3.099932e-10 ] [ 4.668223000000001e-10 1.307552e-10 1.415877e-10 ] [ 3.293332e-10 1.297731e-10 3.803317e-10 ] [ 4.485506e-10 3.146522e-10 2.925064e-10 ] [ 3.343094e-10 3.696236e-10 5.003524e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.2789434 -2.8273484 -4.0023885 ] [ -4.5327634 0.8959034 -0.5562313 ] [ -0.7136079 2.4657708 2.1502494 ] [ 0.0539932 -1.0374081 0.3372383 ] [ 3.9160824 -1.6522398 0.7524016 ] [ 2.8967778 3.0705365 0.6658867 ] [ -0.3415388 -0.9152143 0.6528438 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.049093231688515e-09 -4.529911542657285e-09 -6.412533334890309e-09 ] [ -7.262287606930395e-09 1.435395493801155e-09 -8.911807919594441e-10 ] [ -1.143325903217808e-09 3.950600360559487e-09 3.445079345952519e-09 ] [ 8.650664343488879e-11 -1.662111017742335e-09 5.403153243498822e-10 ] [ 6.274255718098642e-09 -2.647180001324833e-09 1.205480262904214e-09 ] [ 4.641149705049925e-09 4.91954183414414e-09 1.066868111631368e-09 ] [ -5.47205484964399e-10 -1.466334966562666e-09 1.045971082011769e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.475361 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.960079169891487e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5415566 2.4253735 1.4789601 ] [ 0.9827741 1.8634827 3.2334 ] [ 1.9319359 4.2752478 3.2083485 ] [ 4.7325308 1.3038855 1.7574275 ] [ 3.4088103 1.1536751 3.8090343 ] [ 4.3907364 3.5456422 2.7540992 ] [ 3.5802809 3.4370833 5.0245534 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5415566e-10 2.4253735e-10 1.4789601e-10 ] [ 9.827741e-11 1.8634827e-10 3.2334e-10 ] [ 1.9319359e-10 4.2752478e-10 3.2083485e-10 ] [ 4.732530800000001e-10 1.3038855e-10 1.7574275e-10 ] [ 3.4088103e-10 1.1536751e-10 3.8090343e-10 ] [ 4.3907364e-10 3.5456422e-10 2.7540992e-10 ] [ 3.5802809e-10 3.4370833e-10 5.024553400000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.17e-05 5.12e-05 1.19e-05 ] [ 4e-05 1.31e-05 6e-07 ] [ -7.47e-05 6.06e-05 -1.05e-05 ] [ 3.11e-05 -3.18e-05 -2.31e-05 ] [ 5.4e-06 -0.0001017 8.4e-05 ] [ 3.61e-05 3.45e-05 -1.44e-05 ] [ -1.62e-05 -2.59e-05 -4.85e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.476723295779999e-14 8.20314436608e-14 1.90659019446e-14 ] [ 6.408706535999999e-14 2.09885139054e-14 9.613059803999998e-16 ] [ -1.196825945598e-13 9.709190402039998e-14 -1.6822854657e-14 ] [ 4.982769331739999e-14 -5.09492169612e-14 -3.70102802454e-14 ] [ 8.6517538236e-15 -1.629413636778e-13 1.34582837256e-13 ] [ 5.783857648740001e-14 5.527509387299999e-14 -2.30713435296e-14 ] [ -2.59552614708e-14 -4.149637482059999e-14 -7.770556674899999e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.382118 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.425792984503081e-18 } }