{ "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" [ [ 2.819728 1.352428 1.364201 ] [ 2.130711 2.142985 3.535598 ] [ 2.900765 3.536828 2.247591 ] [ 4.867849 2.542824 1.805581 ] [ 4.180951 2.552465 4.619841 ] [ 3.604443 0.2919785 5.062878 ] [ 4.799237 0.5958561 3.34882 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.819728e-10 1.352428e-10 1.364201e-10 ] [ 2.130711e-10 2.142985e-10 3.535598e-10 ] [ 2.900765e-10 3.536828e-10 2.247591e-10 ] [ 4.867849e-10 2.542824e-10 1.805581e-10 ] [ 4.180951e-10 2.552465e-10 4.619841e-10 ] [ 3.604443e-10 2.919785e-11 5.062878e-10 ] [ 4.799237e-10 5.958561e-11 3.34882e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.988775 -8.5949287 -7.3266609 ] [ -8.4860709 -5.77289 12.2713317 ] [ 0.6497799 16.9258002 -7.0411528 ] [ 7.6075299 0.6537913 -1.4301779 ] [ 0.1087063 5.6246572 3.5770671 ] [ -7.8187767 -5.9157309 11.8743239 ] [ 10.9276064 -2.920699 -11.9247311 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.78854546928335e-09 -1.377059393403599e-08 -1.173860489922141e-08 ] [ -1.359618451044735e-08 -9.24918946865226e-09 1.966084091780349e-08 ] [ 1.041062173022856e-09 2.711812159219253e-08 -1.128117049258367e-08 ] [ 1.218860664823636e-08 1.047489144372484e-09 -2.291397613843188e-09 ] [ 1.741666938285942e-10 9.011694340099863e-09 5.731093325870141e-09 ] [ -1.252706133520363e-08 -9.47804582101179e-09 1.902476429712775e-08 ] [ 1.750795563962886e-08 -4.679475692747166e-09 -1.910552553515312e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -6.8835409 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.102864838916333e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4408783 0.8525077 1.5396587 ] [ 2.103962 2.5513689 3.3654222 ] [ 3.3594429 4.3010707 2.0633634 ] [ 4.5375646 2.2271386 1.2319676 ] [ 3.8566679 1.8529222 4.8906593 ] [ 3.2601166 -0.3593366 5.5818915 ] [ 5.7450517 1.5896931 3.3115472 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4408783e-10 8.525077e-11 1.5396587e-10 ] [ 2.103962e-10 2.5513689e-10 3.3654222e-10 ] [ 3.3594429e-10 4.301070700000001e-10 2.0633634e-10 ] [ 4.5375646e-10 2.2271386e-10 1.2319676e-10 ] [ 3.8566679e-10 1.8529222e-10 4.8906593e-10 ] [ 3.2601166e-10 -3.593366000000001e-11 5.581891500000001e-10 ] [ 5.7450517e-10 1.5896931e-10 3.3115472e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2e-06 -2.96e-05 -1.01e-05 ] [ -2.8e-06 -2.42e-05 5.35e-05 ] [ 1.03e-05 3.94e-05 -1.14e-05 ] [ 5.9e-06 2.4e-06 -1.28e-05 ] [ -1.76e-05 1.81e-05 -1.28e-05 ] [ -1.41e-05 7e-07 -5.3e-06 ] [ 2.02e-05 -6.7e-06 -1.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.204353268e-15 -4.74244283664e-14 -1.61819840034e-14 ] [ -4.486094575199999e-15 -3.877267454279999e-14 8.571644991899998e-14 ] [ 1.65024193302e-14 6.31257593796e-14 -1.82648136276e-14 ] [ 9.452842140600001e-15 3.845223921599999e-15 -2.05078609152e-14 ] [ -2.81983087584e-14 2.899939707539999e-14 -2.05078609152e-14 ] [ -2.25906905394e-14 1.1215236438e-15 -8.4915361602e-15 ] [ 3.236396800679999e-14 -1.07345834478e-14 -1.9226119608e-15 ] ] } "relaxed-potential-energy" { "source-value" -20.528281 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.288993215438615e-18 } }