{ "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" [ 5.44141 0 0 ] "si-unit" "m" "si-value" [ 5.441410000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0387259 5.36248 0 ] "si-unit" "m" "si-value" [ 3.87259e-12 5.36248e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.184794 -0.00314768 5.51994 ] "si-unit" "m" "si-value" [ -1.84794e-11 -3.14768e-13 5.51994e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.139299 -0.0133288 0.0135909 ] [ 1.42253 1.35934 1.29237 ] [ 0.0199653 2.64656 2.62294 ] [ 1.43068 4.14401 3.95964 ] [ 2.73386 -0.0804287 2.7169 ] [ 4.04879 1.39288 4.20461 ] [ 2.82765 2.77065 0.103593 ] [ 4.1636 4.04392 1.34337 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.39299e-11 -1.33288e-12 1.35909e-12 ] [ 1.42253e-10 1.35934e-10 1.29237e-10 ] [ 1.99653e-12 2.64656e-10 2.62294e-10 ] [ 1.43068e-10 4.14401e-10 3.95964e-10 ] [ 2.73386e-10 -8.042870000000001e-12 2.7169e-10 ] [ 4.04879e-10 1.39288e-10 4.20461e-10 ] [ 2.827650000000001e-10 2.77065e-10 1.03593e-11 ] [ 4.1636e-10 4.04392e-10 1.34337e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.4043782 -0.1173153 -0.19168269999999998 ] [ 0.0153027 -0.129686 -0.10499089999999998 ] [ 0.0596571 -0.1656309 0.32857469999999994 ] [ -0.3396131 -0.0996402 0.30830499999999994 ] [ 0.1108646 0.2978234 0.016682799999999998 ] [ -0.0616294 0.2867594 -0.24199339999999997 ] [ -0.2816341 -0.0823708 -0.28681309999999993 ] [ 0.0926738 0.0100605 0.17191749999999997 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.478852980011866e-10 -1.879598309221382e-10 -3.071095405518202e-10 ] [ 2.451762817511616e-11 -2.077798772450688e-10 -1.682139653767507e-10 ] [ 9.558121088472768e-11 -2.653699556620627e-10 5.264347025263736e-10 ] [ -5.441201689374125e-10 -1.596411989318362e-10 4.939590630757439e-10 ] [ 1.776246701943437e-10 4.771656886071668e-10 2.672879212948224e-11 ] [ -9.874118383393152e-11 4.594392064746355e-10 -3.877161678679027e-10 ] [ -4.512275706400493e-10 -1.319725699965926e-10 -4.595252433591724e-10 ] [ 1.48479795720695e-10 1.61186978935584e-11 2.75442199206384e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 30.407751 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.871858774330782e-18 } }