{ "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" [ 5.05932 0 0 ] "si-unit" "m" "si-value" [ 5.059319999999999e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.224512 5.44129 0 ] "si-unit" "m" "si-value" [ 2.24512e-11 5.441290000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.327401 0.688972 5.24092 ] "si-unit" "m" "si-value" [ 3.27401e-11 6.88972e-11 5.24092e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.119472 0.0796179 0.152764 ] [ 1.48092 1.5486 0.772169 ] [ 0.0612704 2.84226 2.7863 ] [ 1.84412 4.4971 3.9905 ] [ 2.88701 0.305191 2.51679 ] [ 4.25223 1.88781 3.92663 ] [ 2.58737 2.78734 -0.624797 ] [ 3.988 4.24006 0.48768 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.19472e-11 7.96179e-12 1.52764e-11 ] [ 1.48092e-10 1.5486e-10 7.72169e-11 ] [ 6.127040000000001e-12 2.84226e-10 2.786300000000001e-10 ] [ 1.84412e-10 4.4971e-10 3.9905e-10 ] [ 2.88701e-10 3.05191e-11 2.51679e-10 ] [ 4.25223e-10 1.88781e-10 3.92663e-10 ] [ 2.58737e-10 2.78734e-10 -6.247970000000001e-11 ] [ 3.988e-10 4.24006e-10 4.8768e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 21.0743395 13.9460763 -9.6627505 ] [ -3.4244637 3.1963967 9.1825322 ] [ 29.255592 16.3344493 -28.9019482 ] [ -32.686375 27.5478128 -17.1017281 ] [ 0.6264101 -0.2772085 -1.0343393 ] [ -20.4509467 -19.1594426 16.0506342 ] [ 24.2860161 -22.919331 20.3164685 ] [ -18.6805723 -18.668753 11.1511311 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.376481432388324e-08 2.234407758384117e-08 -1.548143307127181e-08 ] [ -5.486595724121185e-09 5.121192105734708e-09 1.471203853179261e-08 ] [ 4.687262591623732e-08 2.617067299771765e-08 -4.630602608311836e-08 ] [ -5.236934627516174e-08 4.413646198596611e-08 -2.739998916284121e-08 ] [ 1.003619625521603e-09 -4.44136981446189e-10 -1.657194258087916e-09 ] [ -3.27660289459194e-08 -3.06968112541842e-08 2.571595107612128e-08 ] [ 3.891048752836781e-08 -3.672081659511185e-08 3.255057111609703e-08 ] [ -2.992957644880763e-08 -2.99106398425174e-08 1.786608169109072e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -8.7678567 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.404765513500035e-18 } }