{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.44335 0 0 ] "si-unit" "m" "si-value" [ 5.44335e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0871492 5.32556 0 ] "si-unit" "m" "si-value" [ 8.71492e-12 5.32556e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0678412 -0.0738369 5.55618 ] "si-unit" "m" "si-value" [ 6.784120000000001e-12 -7.38369e-12 5.556180000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0586252 0.00658789 -0.0562217 ] [ 1.37481 1.15024 1.36711 ] [ 0.0858543 2.81471 2.72056 ] [ 1.52563 4.03682 4.13778 ] [ 2.84739 -0.239071 2.58831 ] [ 4.11503 1.39706 3.91123 ] [ 2.74645 2.72703 -0.0478687 ] [ 4.08136 4.16337 1.33715 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.86252e-12 6.58789e-13 -5.62217e-12 ] [ 1.37481e-10 1.15024e-10 1.36711e-10 ] [ 8.58543e-12 2.81471e-10 2.72056e-10 ] [ 1.52563e-10 4.03682e-10 4.13778e-10 ] [ 2.84739e-10 -2.39071e-11 2.58831e-10 ] [ 4.11503e-10 1.39706e-10 3.91123e-10 ] [ 2.74645e-10 2.72703e-10 -4.786870000000001e-12 ] [ 4.08136e-10 4.16337e-10 1.33715e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.18370009999999998 1.3397059999999998 -0.9097126999999996 ] [ 0.4062010999999999 1.5909188999999997 -0.36632939999999986 ] [ 0.11431799999999999 -0.7567310999999999 -0.6568742999999997 ] [ -0.30418399999999995 -0.8543992999999999 -0.21992709999999988 ] [ -5.209373099999999 5.918672599999999 5.941110099999998 ] [ 0.18498399999999998 -0.9099591999999999 1.2871256999999994 ] [ -0.12610989999999997 -0.7149744999999998 0.3446217999999998 ] [ 5.117863899999999 -5.613233299999999 -5.420014099999998 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.943200078834634e-10 2.146445649629603e-09 -1.457520431593051e-09 ] [ 6.508059111250973e-10 2.548933088168982e-09 -5.869244050272393e-10 ] [ 1.83157628445612e-10 -1.212416886641117e-09 -1.052428654935106e-09 ] [ -4.873564972366559e-10 -1.368898594565956e-09 -3.523620608033812e-10 ] [ -8.346335858608142e-09 9.482758944016025e-09 9.518707782241399e-09 ] [ 2.96377042463856e-10 -1.457915368133332e-09 2.062202721560893e-09 ] [ -2.020503350960765e-10 -1.145515437805833e-09 5.521449955270208e-10 ] [ 8.199721956572111e-09 -8.99339123445071e-09 -8.683819946970534e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.771264 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.570970671544537e-18 } }