{ "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" [ 5.41274 0 0 ] "si-unit" "m" "si-value" [ 5.412740000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00162551 5.52562 0 ] "si-unit" "m" "si-value" [ 1.62551e-13 5.52562e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0447781 -0.0207227 5.37358 ] "si-unit" "m" "si-value" [ 4.47781e-12 -2.07227e-12 5.37358e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0391133 0.018955 -0.194937 ] [ 1.34586 1.33293 1.3663 ] [ 0.0913327 2.8499 2.77756 ] [ 1.30939 4.04312 4.06983 ] [ 2.74681 -0.0301059 2.75341 ] [ 4.03842 1.37613 4.21696 ] [ 2.56627 2.70409 -0.0178064 ] [ 4.07687 4.07853 1.33472 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.91133e-12 1.8955e-12 -1.94937e-11 ] [ 1.34586e-10 1.33293e-10 1.3663e-10 ] [ 9.13327e-12 2.8499e-10 2.77756e-10 ] [ 1.30939e-10 4.04312e-10 4.06983e-10 ] [ 2.74681e-10 -3.01059e-12 2.75341e-10 ] [ 4.03842e-10 1.37613e-10 4.21696e-10 ] [ 2.56627e-10 2.70409e-10 -1.78064e-12 ] [ 4.07687e-10 4.07853e-10 1.33472e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.8060697 -1.1126935 3.9842228 ] [ -0.7013401 -0.3685284 0.305875 ] [ -4.0541359 -4.4989895 -0.3023524 ] [ 2.3233963 2.1061306 0.0429759 ] [ -0.3042554 -0.1814165 -0.1012109 ] [ 1.2607965 2.4772753 -5.195342 ] [ 0.8926546 0.9736534 1.6124305 ] [ -0.2231856 0.6045686 -0.3465988 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.29146603871539e-09 -1.782731526503679e-09 6.383428674810054e-09 ] [ -1.123670720707223e-09 -5.904475914454055e-10 4.9006577792475e-10 ] [ -6.495441810040561e-09 -7.208175853511343e-09 -4.844219505138216e-10 ] [ 3.722491263382054e-09 3.3743932354724e-09 6.885498280512058e-11 ] [ -4.874708926483236e-10 -2.90661277322061e-10 -1.621577390861106e-10 ] [ 2.020018692528981e-09 3.969032601645339e-09 -8.323855558038827e-09 ] [ 1.430190342352616e-09 1.559964727094656e-09 2.583398471048937e-09 ] [ -3.575827533652704e-10 9.686256845700924e-10 -5.553124987324392e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.674818 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.715735982180261e-18 } }