{ "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" [ [ 2.263215 2.218791 2.823685 ] [ 2.787552 3.729015 0.8142493 ] [ 2.212325 4.309555 3.289264 ] [ 3.882235 1.940561 0.9401229 ] [ 4.958804 1.525412 3.341241 ] [ 4.281489 4.073298 2.625609 ] [ 3.697667 3.229021 4.691712 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.263215e-10 2.218791e-10 2.823685e-10 ] [ 2.787552e-10 3.729015e-10 8.142493e-11 ] [ 2.212325e-10 4.309555e-10 3.289264e-10 ] [ 3.882235e-10 1.940561e-10 9.401229e-11 ] [ 4.958804e-10 1.525412e-10 3.341241e-10 ] [ 4.281489e-10 4.073298000000001e-10 2.625609e-10 ] [ 3.697667e-10 3.229021e-10 4.691712e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.6235633 -2.8135774 -0.7160149 ] [ -0.6073015 1.6905051 0.0325429 ] [ -5.3852927 4.2821756 -0.5362758 ] [ 0.9461955 -1.853836 -0.0492731 ] [ 0.0 0.0 0.0 ] [ 2.8490233 -0.173341 -0.2549188 ] [ 2.8209387 -1.1319262 1.5239396 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.990585408488968e-10 -4.50784793109125e-09 -1.14718233292445e-09 ] [ -9.730042650767714e-10 2.708487748563166e-09 5.213947355303232e-11 ] [ -8.628190060104908e-09 6.860801632480214e-09 -8.592085490608166e-10 ] [ 1.515972308806166e-09 -2.970172697997389e-09 -7.89442088543405e-11 ] [ 0.0 0.0 0.0 ] [ 4.564638523374464e-09 -2.777228976260928e-10 -4.084249415623911e-10 ] [ 4.519642033849945e-09 -1.813545694110985e-09 2.441620398631304e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.6348276 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.223234228455858e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.8234412 2.1397812 3.1069295 ] [ 3.9949135 3.8228561 0.7605364 ] [ 1.5992399 4.1894641 3.3608257 ] [ 3.5890405 1.9105493 -0.2573339 ] [ 5.292617 1.1654 4.5362747 ] [ 3.7227841 4.4800462 2.8439159 ] [ 5.0612508 3.3175561 4.174735 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.234412e-11 2.1397812e-10 3.1069295e-10 ] [ 3.9949135e-10 3.8228561e-10 7.605364e-11 ] [ 1.5992399e-10 4.189464100000001e-10 3.3608257e-10 ] [ 3.5890405e-10 1.9105493e-10 -2.573339e-11 ] [ 5.292617e-10 1.1654e-10 4.5362747e-10 ] [ 3.7227841e-10 4.480046200000001e-10 2.8439159e-10 ] [ 5.0612508e-10 3.3175561e-10 4.174735e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.2192355 0.6228288 0.202082 ] [ 0.0348941 -0.6115689 -1.0602129 ] [ -0.6918563 -0.745385 0.0342177 ] [ 0.1647895 0.4837542 -0.0041231 ] [ 0.2004093 -0.2012442 0.2010962 ] [ 0.9895917 -0.2430651 1.1244887 ] [ -0.4785928 0.6946803 -0.4975486 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.512539925493984e-10 9.97881742120919e-10 3.237710558845056e-10 ] [ 5.590651122385728e-11 -9.798413935883732e-10 -1.698648321450568e-09 ] [ -1.108475988813191e-09 -1.194238420495008e-09 5.482279895754815e-11 ] [ 2.640218842533216e-10 7.750596694538075e-10 -6.605934425220481e-12 ] [ 3.210910950508935e-10 -3.224287523115994e-10 3.22191630171721e-10 ] [ 1.585500685877727e-09 -3.894332205524141e-10 1.801629505493785e-09 ] [ -7.667901950432102e-10 1.11300053559033e-09 -7.971607346317709e-10 ] ] } "relaxed-potential-energy" { "source-value" -14.709317 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.3566923805336e-18 } }