{ "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" [ [ 1.919195 1.598632 0.607522 ] [ 2.894266 0.8592219 2.792014 ] [ 2.250891 3.034774 3.11288 ] [ 5.028948 2.389792 2.243338 ] [ 4.250492 2.740815 4.381763 ] [ 4.34969 4.079675 2.747402 ] [ 3.264148 3.629997 0.8600408 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.919195e-10 1.598632e-10 6.07522e-11 ] [ 2.894266e-10 8.592219e-11 2.792014e-10 ] [ 2.250891e-10 3.034774e-10 3.11288e-10 ] [ 5.028948e-10 2.389792e-10 2.243338e-10 ] [ 4.250492000000001e-10 2.740815e-10 4.381763e-10 ] [ 4.34969e-10 4.079675e-10 2.747402e-10 ] [ 3.264148e-10 3.629997e-10 8.600408e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.6916897 -0.3363525 0.5900776 ] [ 1.9619832 -0.0371495 -2.127176 ] [ -3.6940258 1.2682427 0.6386405 ] [ 5.4552033 -17.2903341 -6.1352992 ] [ 0.1545051 -4.0396861 9.2661901 ] [ -1.8219097 21.1439933 2.1070882 ] [ -2.7474458 -0.7087138 -4.3395213 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.10820907531847e-09 -5.388961162874849e-10 9.454085429667983e-10 ] [ 3.143443639340548e-09 -5.952006086478299e-11 -3.408111683605584e-09 ] [ -5.918481822153157e-09 2.031948820181072e-09 1.023214886626077e-09 ] [ 8.74019926097969e-09 -2.770216928907342e-08 -9.829833020838892e-09 ] [ 2.475444610538334e-10 -6.472290678114587e-09 1.484607326442212e-08 ] [ -2.91902115059795e-09 3.387641201471255e-08 3.375927479817119e-09 ] [ -4.401893463941437e-09 -1.135484690553349e-09 -6.952679629605304e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.6502984 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.385930597360759e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.266245 1.768091 0.1842217 ] [ 2.954407 0.799999 2.2557546 ] [ 2.1309937 2.7586762 3.490886 ] [ 5.1090511 1.6947049 2.8608675 ] [ 4.2583061 3.3911736 4.497407 ] [ 4.748907 4.0643861 2.1346528 ] [ 2.4897202 3.8558761 1.3211701 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.266245e-10 1.768091e-10 1.842217e-11 ] [ 2.954407e-10 7.99999e-11 2.2557546e-10 ] [ 2.1309937e-10 2.7586762e-10 3.490886000000001e-10 ] [ 5.109051100000001e-10 1.6947049e-10 2.8608675e-10 ] [ 4.2583061e-10 3.3911736e-10 4.497407e-10 ] [ 4.748907e-10 4.0643861e-10 2.1346528e-10 ] [ 2.4897202e-10 3.8558761e-10 1.3211701e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0023266 -0.0011461 -0.002129 ] [ -0.0009728 0.0036603 0.0013689 ] [ -0.0039028 0.0014993 0.0036426 ] [ -0.0021342 0.0064891 0.0050711 ] [ -0.0012648 -0.014558 0.0082968 ] [ 0.0050405 0.007073 -0.0190276 ] [ 0.0009074 -0.0030175 0.0027771 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.727624156664399e-12 -1.8362546402274e-12 -3.411034053785999e-12 ] [ -1.5585974295552e-12 5.864447133430199e-12 2.193219594282599e-12 ] [ -6.2529749671752e-12 2.4021434273562e-12 5.8360886070084e-12 ] [ -3.4193653722828e-12 1.03966843956894e-11 8.1247979286774e-12 ] [ -2.0264330066832e-12 -2.3324487437772e-11 1.32929390969712e-11 ] [ 8.075771323677e-12 1.1332195332282e-11 -3.04855761210984e-11 ] [ 1.4538150776916e-12 -4.834567993095e-12 4.449404730281399e-12 ] ] } "relaxed-potential-energy" { "source-value" -18.063248 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.894051387974723e-18 } }