{ "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" [ 5.48581 0 0 ] "si-unit" "m" "si-value" [ 5.48581e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00228581 5.44331 0 ] "si-unit" "m" "si-value" [ 2.28581e-13 5.44331e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0206328 -0.0957916 5.42731 ] "si-unit" "m" "si-value" [ -2.06328e-12 -9.57916e-12 5.427310000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00584564 0.00126862 0.0177865 ] [ 1.36937 1.35462 1.37323 ] [ -0.0302415 2.74811 2.64947 ] [ 1.37836 4.07615 4.08107 ] [ 2.65918 -0.0413914 2.54007 ] [ 4.19104 1.29728 4.08084 ] [ 2.79028 2.80414 0.0605432 ] [ 4.08315 4.18517 1.33386 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.845640000000001e-13 1.26862e-13 1.77865e-12 ] [ 1.36937e-10 1.35462e-10 1.37323e-10 ] [ -3.02415e-12 2.74811e-10 2.64947e-10 ] [ 1.37836e-10 4.07615e-10 4.081070000000001e-10 ] [ 2.65918e-10 -4.13914e-12 2.54007e-10 ] [ 4.19104e-10 1.29728e-10 4.08084e-10 ] [ 2.79028e-10 2.80414e-10 6.05432e-12 ] [ 4.08315e-10 4.18517e-10 1.33386e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.700497 1.1669656 -0.4857281 ] [ -0.6177983 1.3252028 -1.7669873 ] [ 0.4631522 -0.2164646 1.6118357 ] [ -0.1294617 -0.8655011 -0.8448395 ] [ 1.391888 1.1232137 4.5495892 ] [ -2.1784816 0.6063558 -1.1116214 ] [ -0.5619704 -1.2234699 -1.6266311 ] [ 0.9321748 -1.9163023 -0.3256176 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.122319916340538e-09 1.869685001597845e-09 -7.782222058856045e-10 ] [ -9.898219926299847e-10 2.123208943978699e-09 -2.831025741310516e-09 ] [ 7.420516267120859e-10 -3.468145213508237e-10 2.582445475110803e-09 ] [ -2.074205090290234e-10 -1.386685627696683e-09 -1.353582095228362e-09 ] [ 2.230050412372071e-09 1.799586730302265e-09 7.289245450484176e-09 ] [ -3.490312288362977e-09 9.714890866464806e-10 -1.781013818260965e-09 ] [ -9.003758364616243e-10 -1.960214870032514e-09 -2.606150319086187e-09 ] [ 1.493508671058916e-09 -3.070254743445268e-09 -5.216969060410061e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.115442 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.78633168222584e-18 } }