{ "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" [ [ 0.5063284 -2.5765671 -0.4548595 ] [ -2.953461 -4.0703397 4.6580801 ] [ 1.1800334 6.7119794 -2.9635079 ] [ 1.4078884 -1.00373 0.8184627 ] [ 0.1590596 1.4680102 0.1147997 ] [ -2.6388844 -0.7492847 2.8718284 ] [ 2.3390356 0.2199319 -5.0448035 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.112275249270707e-10 -4.128115569542456e-09 -7.287652566487777e-10 ] [ -4.731966164644589e-09 -6.521403106054087e-09 7.463067034033726e-09 ] [ 1.890621925243135e-09 1.075377647397121e-08 -4.748063072936105e-09 ] [ 2.255685879175519e-09 -1.608152739595584e-09 1.311321802936844e-09 ] [ 2.548415724337997e-10 2.352011621535932e-09 1.839293954148538e-10 ] [ -4.227958890673836e-09 -1.200486428663142e-09 4.60117632142947e-09 ] [ 3.7475481535389e-09 3.523697483481235e-10 -8.082666224230014e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.125841 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.90407986825381e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5639272 0.3015211 1.6035509 ] [ 1.7864505 1.7783637 3.192148 ] [ 3.0364752 3.696644 2.8612882 ] [ 5.2171909 2.6798671 2.4008319 ] [ 4.5248415 3.0987174 4.7138524 ] [ 3.5333285 1.0130528 4.6235084 ] [ 4.6414703 0.4471985 2.5893302 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.563927200000001e-10 3.015211e-11 1.6035509e-10 ] [ 1.7864505e-10 1.7783637e-10 3.192148e-10 ] [ 3.0364752e-10 3.696644e-10 2.8612882e-10 ] [ 5.2171909e-10 2.6798671e-10 2.4008319e-10 ] [ 4.5248415e-10 3.0987174e-10 4.713852400000001e-10 ] [ 3.5333285e-10 1.0130528e-10 4.623508400000001e-10 ] [ 4.6414703e-10 4.471985e-11 2.5893302e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1e-05 5.85e-05 -1.1e-05 ] [ -7.2e-06 -1.7e-06 -2e-07 ] [ 1.38e-05 -4.94e-05 -2.39e-05 ] [ -5.29e-05 6.12e-05 3.71e-05 ] [ 9.9e-06 -3.27e-05 -3.16e-05 ] [ 7.7e-06 5e-05 4.56e-05 ] [ 1.87e-05 -8.58e-05 -1.6e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.6021766208e-14 9.37273323168e-14 -1.76239428288e-14 ] [ -1.153567166976e-14 -2.72370025536e-15 -3.2043532416e-16 ] [ 2.211003736704e-14 -7.914752506752001e-14 -3.829202123712e-14 ] [ -8.475514324032001e-14 9.805320919295999e-14 5.944075263168e-14 ] [ 1.586154854592e-14 -5.239117550016001e-14 -5.062878121728e-14 ] [ 1.233675998016e-14 8.010883104e-14 7.305925390848e-14 ] [ 2.996070280896e-14 -1.3746675406464e-13 -2.56348259328e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.541842 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.611601224216751e-18 } }