{ "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" [ 5.37283 0 0 ] "si-unit" "m" "si-value" [ 5.372830000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.256601 5.36059 0 ] "si-unit" "m" "si-value" [ -2.56601e-11 5.36059e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0433697 -0.246629 5.47376 ] "si-unit" "m" "si-value" [ 4.33697e-12 -2.46629e-11 5.473760000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.00270324 -0.00280673 0.144383 ] [ 1.34461 1.35881 1.37149 ] [ -0.0221547 2.59799 2.84643 ] [ 1.34697 4.04373 4.10747 ] [ 2.75027 0.00909757 2.6523 ] [ 4.11164 1.31842 4.20835 ] [ 2.66226 2.78619 -0.017694 ] [ 3.99298 4.09333 1.38778 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.70324e-13 -2.80673e-13 1.44383e-11 ] [ 1.34461e-10 1.35881e-10 1.37149e-10 ] [ -2.21547e-12 2.59799e-10 2.84643e-10 ] [ 1.34697e-10 4.04373e-10 4.10747e-10 ] [ 2.75027e-10 9.09757e-13 2.6523e-10 ] [ 4.11164e-10 1.31842e-10 4.20835e-10 ] [ 2.66226e-10 2.78619e-10 -1.7694e-12 ] [ 3.99298e-10 4.09333e-10 1.38778e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.4974841 1.950694 -2.8127738 ] [ 0.3246665 0.6116148 0.2560103 ] [ 0.4158777 1.1987694 -1.1021262 ] [ -0.6504389 -0.8974874 0.8141922 ] [ 0.7945575 0.5591828 0.5330775 ] [ -0.1142264 -1.8249729 -0.1737652 ] [ -0.9300298 0.617251 0.4513841 ] [ -1.3378908 -2.2150517 2.0340011 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.399234015039729e-09 3.125356321134835e-09 -4.506560421958775e-09 ] [ 5.201730758569633e-10 9.799149334952678e-10 4.101737173439943e-10 ] [ 6.663095280520761e-10 1.920640306410444e-09 -1.765800830811145e-09 ] [ -1.042117998838869e-09 -1.437933329742578e-09 1.304479707677718e-09 ] [ 1.273021450381296e-09 8.959096089134822e-10 8.54084307574512e-10 ] [ -1.830108675581492e-10 -2.923928913973576e-09 -2.784025409486362e-10 ] [ -1.4900720022073e-09 9.889451213654208e-10 7.231970520208493e-10 ] [ -2.143537360943409e-09 -3.548904047603296e-09 3.258829009101483e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.08895424065424 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.737952295829724e-18 } }