{ "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" [ [ 2.648062 2.256008 1.840542 ] [ 2.082623 2.792532 4.589039 ] [ 1.893054 0.6019814 4.219017 ] [ 3.79314 0.2675402 2.698761 ] [ 5.137376 2.400602 1.294264 ] [ 4.215429 1.396012 4.868853 ] [ 4.085322 3.344134 3.585876 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.648062e-10 2.256008e-10 1.840542e-10 ] [ 2.082623e-10 2.792532e-10 4.589039e-10 ] [ 1.893054e-10 6.019814000000001e-11 4.219017e-10 ] [ 3.79314e-10 2.675402e-11 2.698761000000001e-10 ] [ 5.137376e-10 2.400602e-10 1.294264e-10 ] [ 4.215429000000001e-10 1.396012e-10 4.868853e-10 ] [ 4.085322e-10 3.344134e-10 3.585876e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -10.397972 3.9357958 -13.9217262 ] [ -12.4375461 10.8660994 9.8099725 ] [ -13.3133695 -12.315313 5.2325269 ] [ 5.1938251 -15.8339749 -6.6618331 ] [ 11.2676704 2.5726274 -10.9790077 ] [ 11.2050567 -5.1532109 14.614229 ] [ 8.4823356 15.9279762 1.9058385 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.665938764213302e-08 6.305840015002833e-09 -2.230506423881883e-08 ] [ -1.992714558154222e-08 1.740941041796891e-08 1.571730859019093e-08 ] [ -2.133036935697179e-08 -1.973130656643431e-08 8.383432266887098e-09 ] [ 8.321425147744222e-09 -2.536882439911402e-08 -1.067343324449159e-08 ] [ 1.805279808576018e-08 4.121803474309491e-09 -1.759030945652318e-08 ] [ 1.79524798794784e-08 -8.256354026031728e-09 2.341457603481736e-08 ] [ 1.359019978809954e-08 2.551943108429882e-08 3.053489887720541e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 139.39739 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.233392392585397e-17 } "relaxed-configuration-positions" { "source-value" [ [ -0.587037 3.3290031 -1.8447791 ] [ -2.1067098 6.3083287 7.9706496 ] [ -2.5434988 -3.494151 6.0417626 ] [ 5.5416621 -5.2722245 0.4320724 ] [ 9.5840995 3.1765029 -3.0718828 ] [ 7.081724 -0.0377785 9.0098249 ] [ 6.8847661 9.049129 4.5587043 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.87037e-11 3.3290031e-10 -1.8447791e-10 ] [ -2.1067098e-10 6.308328699999999e-10 7.9706496e-10 ] [ -2.5434988e-10 -3.494151e-10 6.041762600000001e-10 ] [ 5.5416621e-10 -5.2722245e-10 4.320724e-11 ] [ 9.584099500000002e-10 3.1765029e-10 -3.0718828e-10 ] [ 7.081724000000001e-10 -3.77785e-12 9.009824900000001e-10 ] [ 6.884766100000001e-10 9.049129000000001e-10 4.5587043e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0 0.0 0.0 ] [ -0.0 0.0 0.0 ] [ -0.0 -0.0 0.0 ] [ 0.0 -0.0 -0.0 ] [ 0.0 0.0 -0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] ] } "relaxed-potential-energy" { "source-value" 0.0 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 0.0 } }