{ "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" [ [ 16.9999156 15.4831571 -22.4320183 ] [ -4.5828266 2.6321461 3.3574094 ] [ -2.8303519 -4.0046675 -12.2648771 ] [ -22.9216906 -24.3871755 40.4471708 ] [ 35.2443195 28.7393096 -27.5859293 ] [ 1.6095733 -12.0832533 -2.4642713 ] [ -5.4268916 9.5243741 0.7106397 ] [ -18.0920476 -15.9038906 20.2318762 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.723686755429209e-08 2.48067525261712e-08 -3.59400555737204e-08 ] [ -7.342497696193663e-09 4.217162978694227e-09 5.379162891451958e-09 ] [ -4.534723680177504e-09 -6.416184695439194e-09 -1.965049950850168e-08 ] [ -3.672459709109744e-08 -3.907256275535726e-08 6.480351196716708e-08 ] [ 5.646762518413056e-08 4.604545031841188e-08 -4.419753135163597e-08 ] [ 2.578820731970272e-09 -1.935950609996339e-08 -3.948197896696804e-09 ] [ -8.694838916770873e-09 1.525972963649478e-08 1.138570322532769e-09 ] [ -2.898665592593578e-08 -2.548084190901224e-08 3.24150393096207e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -26.946305 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.317274024363737e-18 } }