{ "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" [ 5.43079 0 0 ] "si-unit" "m" "si-value" [ 5.43079e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0839771 5.43297 0 ] "si-unit" "m" "si-value" [ -8.397710000000001e-12 5.432970000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0398452 0.0785902 5.46584 ] "si-unit" "m" "si-value" [ 3.98452e-12 7.85902e-12 5.46584e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0520054 -0.0817533 0.0407426 ] [ 1.35344 1.3045 1.28849 ] [ 0.00819716 2.75378 2.6961 ] [ 1.33497 4.09637 3.90076 ] [ 2.57675 -0.0301907 2.72622 ] [ 4.09447 1.46101 4.06258 ] [ 2.65601 2.62697 -0.116016 ] [ 4.03834 4.01266 1.20961 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.20054e-12 -8.17533e-12 4.07426e-12 ] [ 1.35344e-10 1.3045e-10 1.28849e-10 ] [ 8.197160000000001e-13 2.75378e-10 2.6961e-10 ] [ 1.33497e-10 4.09637e-10 3.90076e-10 ] [ 2.57675e-10 -3.01907e-12 2.72622e-10 ] [ 4.09447e-10 1.46101e-10 4.06258e-10 ] [ 2.656010000000001e-10 2.62697e-10 -1.16016e-11 ] [ 4.03834e-10 4.012660000000001e-10 1.20961e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.877406 2.8952769 -4.3535111 ] [ -0.7116726 0.5423447 0.4723895 ] [ -1.0381178 -1.175685 -2.0985253 ] [ -3.812134 -4.1350208 7.4236802 ] [ 6.9279013 5.3311112 -4.9309285 ] [ 0.0704851 -2.8067155 -0.7340423 ] [ -0.9658385 1.7642459 0.4373165 ] [ -3.3480295 -2.4155574 3.783621 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.610112621749645e-09 4.638744959922299e-09 -6.975093702813291e-09 ] [ -1.14022520138395e-09 8.689319987547897e-10 7.568514128114016e-10 ] [ -1.66324806879633e-09 -1.883655020425248e-09 -3.362208173817306e-09 ] [ -6.107711970156787e-09 -6.625033652281713e-09 1.189404685673587e-08 ] [ 1.109972149406993e-08 8.541381727525032e-09 -7.900218361536414e-09 ] [ 1.129295793347501e-10 -4.496853955336983e-09 -1.17606541173826e-09 ] [ -1.547443864168541e-09 2.826633534322254e-09 7.006582721900832e-10 ] [ -5.364134590648713e-09 -3.870149592480434e-09 6.062029108167917e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.027617 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.612042903973663e-18 } }