{ "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" [ [ -0.5949746 -1.5833383 -2.0417271 ] [ -1.8413438 0.4999814 0.4538513 ] [ -0.9231178 2.4219835 1.1042041 ] [ -0.4171855 -0.3008885 0.5965096 ] [ 2.717132 -1.0854962 -0.3763834 ] [ 1.6984038 1.0586941 1.5587708 ] [ -0.638914 -1.010936 -1.2952252 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.532544019434964e-10 -2.536787627977282e-09 -3.271207452624581e-09 ] [ -2.950158011520769e-09 8.010585165146075e-10 7.271499481705242e-10 ] [ -1.478997769589485e-09 3.880445371633539e-09 1.769130008186999e-09 ] [ -6.68404860143607e-10 -4.820765241393089e-10 9.557137430766862e-10 ] [ 4.353325401893687e-09 -1.73915664793579e-09 -6.030326889054755e-10 ] [ 2.721142883456809e-09 1.696214949573659e-09 2.497426153521487e-09 ] [ -1.023653081935476e-09 -1.619698037669424e-09 -2.075179551207977e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.31452706491639 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.613875405816964e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5773459 2.3944942 1.5604599 ] [ 0.8741126 2.0774713 3.4487371 ] [ 1.8958782 4.2193857 3.333987 ] [ 4.8930738 1.4694678 2.1511057 ] [ 3.0446964 0.9480207 3.6855951 ] [ 4.6109941 3.8085967 2.4575162 ] [ 3.672524 3.0869535 4.6284219 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5773459e-10 2.3944942e-10 1.5604599e-10 ] [ 8.741126e-11 2.0774713e-10 3.448737100000001e-10 ] [ 1.8958782e-10 4.2193857e-10 3.333987e-10 ] [ 4.8930738e-10 1.4694678e-10 2.1511057e-10 ] [ 3.0446964e-10 9.480207e-11 3.6855951e-10 ] [ 4.6109941e-10 3.8085967e-10 2.4575162e-10 ] [ 3.672524e-10 3.0869535e-10 4.6284219e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.16e-05 4.43e-05 2.64e-05 ] [ -5.33e-05 -6.19e-05 -3.99e-05 ] [ 5.21e-05 1.02e-05 1.62e-05 ] [ -4.55e-05 6.68e-05 6.14e-05 ] [ -2.7e-06 4.07e-05 1.95e-05 ] [ -8.15e-05 -7.63e-05 -1.89e-05 ] [ 6.94e-05 -2.39e-05 -6.46e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.86940806544e-14 7.09764248862e-14 4.22974631376e-14 ] [ -8.53960145922e-14 -9.917473364459999e-14 -6.392684769659999e-14 ] [ 8.347340263139999e-14 1.63422016668e-14 2.59552614708e-14 ] [ -7.289903684699999e-14 1.070253991512e-13 9.83736453276e-14 ] [ -4.3258769118e-15 6.520858900379999e-14 3.1242444363e-14 ] [ -1.30577395671e-13 -1.222460771742e-13 -3.02811383826e-14 ] [ 1.111910583996e-13 -3.82920215526e-14 -1.035006105564e-13 ] ] } "relaxed-potential-energy" { "source-value" -18.180097064916392 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.912772672126102e-18 } }