{ "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" [ [ 2.072399 2.177963 4.557602 ] [ 2.377271 3.879759 3.040396 ] [ 5.261436 0.7705425 2.642102 ] [ 4.650297 3.074511 2.607434 ] [ 3.240336 1.703827 1.872622 ] [ 3.483569 0.4560924 3.818111 ] [ 3.60342 3.885532 5.130911 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.072399e-10 2.177963e-10 4.557602e-10 ] [ 2.377271e-10 3.879759e-10 3.040396e-10 ] [ 5.261436e-10 7.705425e-11 2.642102e-10 ] [ 4.650297000000001e-10 3.074511e-10 2.607434e-10 ] [ 3.240336e-10 1.703827e-10 1.872622e-10 ] [ 3.483569e-10 4.560924000000001e-11 3.818111e-10 ] [ 3.60342e-10 3.885532e-10 5.130911000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.2936784 -3.0202318 4.9965635 ] [ -4.0111885 4.893381 -3.2165438 ] [ 9.736126 -4.2299636 -0.6558105 ] [ 8.7089847 10.5637736 -0.6675148 ] [ -8.1854545 -2.3957681 -11.1517419 ] [ -4.8537472 -7.7444125 7.3060547 ] [ 2.8989579 1.9332215 3.3889928 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.879231149713951e-09 -4.838944779356701e-09 8.00537722404262e-09 ] [ -6.426632436321821e-09 7.840060634866924e-09 -5.153471276139191e-09 ] [ 1.559899345436302e-08 -6.777148786755002e-09 -1.050724250775158e-09 ] [ 1.39533316772449e-08 1.692503108934425e-08 -1.069476606597988e-09 ] [ -1.311454383052215e-08 -3.838443638678437e-09 -1.786706015337577e-08 ] [ -7.776560287113462e-09 -1.240791664933128e-08 1.170559003062596e-08 ] [ 4.644642572063464e-09 3.097362290127907e-09 5.42976503221953e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.890599 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.584648648350786e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.185742 2.409783 4.7257156 ] [ 2.4729827 3.4020026 2.5083725 ] [ 5.1330284 1.3115453 2.6110811 ] [ 4.832569 3.6365939 3.1091555 ] [ 2.8050296 1.2756479 1.4383871 ] [ 3.0819896 0.3608795 3.8637753 ] [ 4.1773866 3.5517748 5.4126908 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.185742e-10 2.409783e-10 4.7257156e-10 ] [ 2.4729827e-10 3.4020026e-10 2.5083725e-10 ] [ 5.1330284e-10 1.3115453e-10 2.6110811e-10 ] [ 4.832569000000001e-10 3.6365939e-10 3.1091555e-10 ] [ 2.8050296e-10 1.2756479e-10 1.4383871e-10 ] [ 3.0819896e-10 3.608795e-11 3.8637753e-10 ] [ 4.1773866e-10 3.5517748e-10 5.412690800000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.21e-05 -3.9e-06 -5e-07 ] [ -2e-06 -1.01e-05 2.3e-06 ] [ -2.12e-05 -4e-06 -3e-07 ] [ -8.9e-06 -5.1e-06 1.1e-06 ] [ 2.02e-05 3.6e-06 2.5e-06 ] [ -6.3e-06 5.1e-06 -1.18e-05 ] [ 6.1e-06 1.44e-05 6.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.938633711168e-14 -6.24848882112e-15 -8.010883104e-16 ] [ -3.2043532416e-15 -1.618198387008e-14 3.68500622784e-15 ] [ -3.396614436096001e-14 -6.4087064832e-15 -4.8065298624e-16 ] [ -1.425937192512e-14 -8.17110076608e-15 1.76239428288e-15 ] [ 3.236396774016e-14 5.76783583488e-15 4.005441552e-15 ] [ -1.009371271104e-14 8.17110076608e-15 -1.890568412544e-14 ] [ 9.77327738688e-15 2.307134333952e-14 1.073458335936e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.086282 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.057959479839587e-18 } }