{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.9991242 0.9479007 1.187372 ] [ 1.085399 0.1016804 2.948528 ] [ 2.969901 0.5974891 1.991295 ] [ 2.924101 2.886024 0.3835606 ] [ 2.264584 2.996261 2.274235 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.991242000000001e-11 9.479007e-11 1.187372e-10 ] [ 1.085399e-10 1.016804e-11 2.948528e-10 ] [ 2.969901e-10 5.974891e-11 1.991295e-10 ] [ 2.924101e-10 2.886024e-10 3.835606e-11 ] [ 2.264584e-10 2.996261e-10 2.274235e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.9781197 4.6439509 -9.8001968 ] [ -2.7758977 -4.8471828 9.9618252 ] [ 6.7540173 0.2032319 -0.1616284 ] [ 1.1737771 -0.1961946 -3.3649327 ] [ -1.1737771 0.1961946 3.3649327 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.37365037808391e-09 7.440429560123119e-09 -1.570164619219897e-08 ] [ -4.447478396672493e-09 -7.766042958903882e-09 1.596060343593629e-08 ] [ 1.082112861453874e-08 3.256133987807635e-10 -2.589572437373107e-10 ] [ 1.880598227650423e-09 -3.143384012472077e-10 -5.391216502505421e-09 ] [ -1.880598227650423e-09 3.143384012472077e-10 5.391216502505421e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -4.6414697 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.43645423949159e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.9764327 1.015954 1.0451316 ] [ 1.0855468 0.0350489 3.0869453 ] [ 2.9924447 0.5960673 1.9951181 ] [ 2.9556008 2.8807589 0.2932585 ] [ 2.2330842 3.0015261 2.3645371 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.764327000000001e-11 1.015954e-10 1.0451316e-10 ] [ 1.0855468e-10 3.50489e-12 3.0869453e-10 ] [ 2.9924447e-10 5.960673e-11 1.9951181e-10 ] [ 2.9556008e-10 2.8807589e-10 2.932585e-11 ] [ 2.2330842e-10 3.0015261e-10 2.3645371e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.7e-06 1.1e-06 -2.4e-06 ] [ 6.1e-06 1e-06 -1.8e-06 ] [ -4.4e-06 -2.1e-06 4.2e-06 ] [ -9e-07 1e-07 2.5e-06 ] [ 9e-07 -1e-07 -2.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.72370025536e-15 1.76239428288e-15 -3.84522388992e-15 ] [ 9.77327738688e-15 1.6021766208e-15 -2.88391791744e-15 ] [ -7.04957713152e-15 -3.36457090368e-15 6.72914180736e-15 ] [ -1.44195895872e-15 1.6021766208e-16 4.005441552e-15 ] [ 1.44195895872e-15 -1.6021766208e-16 -4.005441552e-15 ] ] } "relaxed-potential-energy" { "source-value" -6.9597957 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.115082195608437e-18 } }