{ "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" [ [ 0.3655052 -0.9378325 4.3394464 ] [ -0.934261 -0.3710843 0.1546323 ] [ -2.419219 -3.0943136 -0.7636022 ] [ 1.8840366 1.7431079 -0.9587503 ] [ -0.3454391 -0.3420681 -0.0931166 ] [ 0.4574105 1.1042894 -4.0113477 ] [ 1.1976265 0.8675344 2.0717653 ] [ -0.2056597 1.0303668 -0.7390272 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.856038910454967e-10 -1.502573318105805e-09 6.952559626575416e-09 ] [ -1.496851144257474e-09 -5.945425947042461e-10 2.477482579216782e-10 ] [ -3.876016154328846e-09 -4.957636948188422e-09 -1.223425602510995e-09 ] [ 3.018559418120804e-09 2.792766747920808e-09 -1.53608732850049e-09 ] [ -5.534544544899894e-10 -5.480535170567753e-10 -1.491892407575244e-10 ] [ 7.32852415246257e-10 1.769266673853879e-09 -6.426887555789641e-09 ] [ 1.918809194559201e-09 1.38994334487121e-09 3.319333954792e-09 ] [ -3.295031658954498e-10 1.650829611409351e-09 -1.184052111730445e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.715536 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.722259724998582e-18 } }