{ "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" [ 5.46497 0 0 ] "si-unit" "m" "si-value" [ 5.46497e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00264453 5.45437 0 ] "si-unit" "m" "si-value" [ 2.64453e-13 5.45437e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.00434361 0.134648 5.52148 ] "si-unit" "m" "si-value" [ -4.343610000000001e-13 1.34648e-11 5.521480000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.000601708 -0.00129581 -0.00103934 ] [ 1.36071 1.38338 1.29931 ] [ 0.0379757 2.81246 2.65752 ] [ 1.43056 4.2109 3.80234 ] [ 2.71672 0.059655 2.71923 ] [ 4.18219 1.40754 3.91392 ] [ 2.71688 2.7266 0.0375018 ] [ 4.08381 4.07468 1.29537 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.017079999999999e-14 -1.29581e-13 -1.03934e-13 ] [ 1.36071e-10 1.38338e-10 1.29931e-10 ] [ 3.79757e-12 2.812460000000001e-10 2.65752e-10 ] [ 1.43056e-10 4.2109e-10 3.80234e-10 ] [ 2.71672e-10 5.9655e-12 2.71923e-10 ] [ 4.18219e-10 1.40754e-10 3.91392e-10 ] [ 2.71688e-10 2.7266e-10 3.75018e-12 ] [ 4.08381e-10 4.07468e-10 1.29537e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.9308923 -1.0112611 -3.3335386 ] [ -0.6216824 -0.2257236 2.4566282 ] [ 0.042706 -1.0281729 -3.3956203 ] [ -3.8902606 -3.2312285 9.9085784 ] [ 4.5412521 3.09691 -7.4212583 ] [ -1.4485296 0.8882749 4.5956753 ] [ 0.6622457 -0.2893908 -5.2659726 ] [ -0.2166234 1.8005919 2.455508 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.491453891830518e-09 -1.620218905293137e-09 -5.340917653457071e-09 ] [ -9.960450150490414e-10 -3.616490776623624e-10 3.935952300465479e-09 ] [ 6.8422555331604e-11 -1.647314596092018e-09 -5.440383502596069e-09 ] [ -6.23288463349082e-09 -5.176998801814868e-09 1.58752927886371e-08 ] [ 7.275888003723431e-09 4.961796839600939e-09 -1.189016664313856e-08 ] [ -2.320800278777366e-09 1.423173289348687e-09 7.363083583110939e-09 ] [ 1.061034586506974e-09 -4.636551778545671e-10 -8.437018255004226e-09 ] [ -3.470689498576355e-10 2.884866269549664e-09 3.934157542200071e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.501635 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.527771343179659e-18 } }