{ "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" [ [ 0.5192871 -0.836792 3.1504627 ] [ -0.584062 -0.2359881 0.1311432 ] [ -1.8587599 -2.2777411 -1.1091554 ] [ 1.6448696 1.567967 -0.224007 ] [ -0.2444027 -0.2124701 -0.0161829 ] [ -0.0322016 0.7573788 -2.8856851 ] [ 0.7364717 0.6598398 1.3623761 ] [ -0.1812022 0.5778058 -0.4089516 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.319896511030316e-10 -1.340688578872474e-09 5.047597682642444e-09 ] [ -9.357704814976895e-10 -3.780946166070125e-10 2.101145690168985e-10 ] [ -2.978061655460546e-09 -3.649343538655275e-09 -1.777062850714072e-09 ] [ 2.635371617384648e-09 2.512160069585914e-09 -3.588987782955456e-10 ] [ -3.915762920003962e-10 -3.404146268390381e-10 -2.592786403674432e-11 ] [ -5.159265067235327e-11 1.213454606449559e-09 -4.62337720221091e-09 ] [ 1.179957739620831e-09 1.057179901033348e-09 2.182767136156683e-09 ] [ -2.903179284775258e-10 9.257469441226407e-10 -6.552126925587533e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -25.502497 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.085950446542214e-18 } }