{ "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" [ 5.43856 0 0 ] "si-unit" "m" "si-value" [ 5.43856e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00547847 5.34673 0 ] "si-unit" "m" "si-value" [ -5.47847e-13 5.34673e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0698619 0.130192 5.52638 ] "si-unit" "m" "si-value" [ -6.986190000000001e-12 1.30192e-11 5.526379999999999e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0176967 -0.0436428 -0.0335652 ] [ 1.35227 1.24207 1.37266 ] [ -0.0530244 2.758 2.7242 ] [ 1.3158 4.14206 3.88387 ] [ 2.73162 0.0656859 2.694 ] [ 4.07939 1.42095 3.99542 ] [ 2.69114 2.74306 -0.00706676 ] [ 4.05369 4.20359 1.27338 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.76967e-12 -4.36428e-12 -3.35652e-12 ] [ 1.35227e-10 1.24207e-10 1.37266e-10 ] [ -5.30244e-12 2.758e-10 2.7242e-10 ] [ 1.3158e-10 4.14206e-10 3.88387e-10 ] [ 2.73162e-10 6.568590000000001e-12 2.694e-10 ] [ 4.07939e-10 1.42095e-10 3.99542e-10 ] [ 2.69114e-10 2.74306e-10 -7.06676e-13 ] [ 4.05369e-10 4.20359e-10 1.27338e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.6064586 2.2691788 -4.3865037 ] [ -1.5257447 3.6364297 -0.8572795 ] [ 0.5527068 -0.1817029 -4.8799497 ] [ -0.6682745 -0.6146142 5.8072365 ] [ 1.6692669 0.7340724 -0.9853242 ] [ -2.1208433 0.4095484 3.9953142 ] [ 0.3651129 -1.0753235 -1.8777335 ] [ -1.8786828 -5.1775888 3.1842397 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.778183700408351e-09 3.635625251728159e-09 -7.027953733094544e-09 ] [ -2.444512507789339e-09 5.826202696523628e-09 -1.373513183707203e-09 ] [ 8.855339204129111e-10 -2.911201407100386e-10 -7.81854138443531e-09 ] [ -1.070693788998033e-09 -9.847205101646026e-10 9.30421862841194e-09 ] [ 2.674460423089614e-09 1.176113646944301e-09 -1.578663410154743e-09 ] [ -3.397965579635452e-09 6.561688769720855e-10 6.401199056728402e-09 ] [ 5.849753571519786e-10 -1.722858185691099e-09 -3.008460738579039e-09 ] [ -3.009981684857695e-09 -8.295411795820099e-09 5.101714444395169e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.156721 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.63272769142571e-18 } }