{ "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" [ [ 2.263215 2.218791 2.823685 ] [ 2.787552 3.729015 0.8142493 ] [ 2.212325 4.309555 3.289264 ] [ 3.882235 1.940561 0.9401229 ] [ 4.958804 1.525412 3.341241 ] [ 4.281489 4.073298 2.625609 ] [ 3.697667 3.229021 4.691712 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.263215e-10 2.218791e-10 2.823685e-10 ] [ 2.787552e-10 3.729015e-10 8.142493e-11 ] [ 2.212325e-10 4.309555e-10 3.289264e-10 ] [ 3.882235e-10 1.940561e-10 9.401229e-11 ] [ 4.958804e-10 1.525412e-10 3.341241e-10 ] [ 4.281489e-10 4.073298000000001e-10 2.625609e-10 ] [ 3.697667e-10 3.229021e-10 4.691712e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.1665267 -5.2455302 -0.3954916 ] [ -2.2195525 3.5699563 -1.6150031 ] [ -4.6904826 4.781808 1.1402384 ] [ 2.5366616 -4.0430158 0.9632547 ] [ -1.4594152 1.1555112 -0.7944295 ] [ 5.5326145 1.7224421 -1.9397722 ] [ 1.466701 -1.9411717 2.6412033 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.868981806278975e-09 -8.404265850140348e-09 -6.336473952427853e-10 ] [ -3.556115124138192e-09 5.719700521137671e-09 -2.587520209339524e-09 ] [ -7.514981561989199e-09 7.661300982754407e-09 1.826863306618399e-09 ] [ 4.064179910401122e-09 -6.47762539228501e-09 1.543304160215718e-09 ] [ -2.338240913480157e-09 1.851333029712553e-09 -1.272816371773834e-09 ] [ 8.864225603799082e-09 2.759656463301656e-09 -3.107857668517782e-09 ] [ 2.349914051903981e-09 -3.110099914698591e-09 4.231674178039809e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.045249 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.891167606431458e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.7687092 1.6636028 2.9633049 ] [ 3.2363002 4.0641535 1.2244544 ] [ 1.7875851 3.9947261 3.0572836 ] [ 3.4459995 1.702515 1.3798209 ] [ 5.1340167 1.9745952 2.9401806 ] [ 5.0806098 4.3472701 2.5983143 ] [ 3.6300664 3.2787903 4.3625245 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7687092e-10 1.6636028e-10 2.9633049e-10 ] [ 3.2363002e-10 4.0641535e-10 1.2244544e-10 ] [ 1.7875851e-10 3.9947261e-10 3.0572836e-10 ] [ 3.4459995e-10 1.702515e-10 1.3798209e-10 ] [ 5.1340167e-10 1.9745952e-10 2.9401806e-10 ] [ 5.0806098e-10 4.3472701e-10 2.5983143e-10 ] [ 3.6300664e-10 3.2787903e-10 4.3625245e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.82e-05 -3.56e-05 -1.63e-05 ] [ -1.37e-05 -2.7e-05 2e-06 ] [ 4.74e-05 -4.9e-06 -1.72e-05 ] [ -2.4e-06 4.84e-05 1.16e-05 ] [ 3.7e-06 1.78e-05 -1.86e-05 ] [ 1.53e-05 -1.36e-05 -2.46e-05 ] [ -2.21e-05 1.5e-05 6.32e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.518138070656001e-14 -5.703748770048e-14 -2.611547891904e-14 ] [ -2.194981970496e-14 -4.32587687616e-14 3.2043532416e-15 ] [ 7.594317182591999e-14 -7.850665441919999e-15 -2.755743787776e-14 ] [ -3.84522388992e-15 7.754534844671999e-14 1.858524880128e-14 ] [ 5.928053496960001e-15 2.851874385024e-14 -2.980048514688e-14 ] [ 2.451330229824e-14 -2.178960204288e-14 -3.941354487168e-14 ] [ -3.540810331968e-14 2.4032649312e-14 1.0125756243456e-13 ] ] } "relaxed-potential-energy" { "source-value" -22.30335 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.573390593551968e-18 } }