{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.412740000000001e-10 0.0 0.0 ] "source-value" [ 5.41274 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.62551e-13 5.52562e-10 0.0 ] "source-value" [ 0.00162551 5.52562 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 4.47781e-12 -2.07227e-12 5.37358e-10 ] "source-value" [ 0.0447781 -0.0207227 5.37358 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 9.546373929489062e-10 -1.365886170805457e-09 5.817585982438434e-09 ] [ -1.03732620900138e-09 -6.905076822090049e-10 4.572581634407405e-10 ] [ -3.658200050579733e-09 -4.312333196531391e-09 -2.595302461839737e-09 ] [ 3.269921999370916e-09 3.037977133024969e-09 -3.022272277352564e-10 ] [ -3.36727377563929e-10 -3.463095152799475e-10 -2.037157960287475e-10 ] [ -1.699896577255834e-10 1.457098085827601e-09 -5.240445273781657e-09 ] [ 1.288408594429797e-09 1.227726475352321e-09 2.793232798090775e-09 ] [ -3.107246918789933e-10 9.922347104032473e-10 -7.263863448022138e-10 ] ] "source-value" [ [ 0.5958378 -0.8525191 3.6310516 ] [ -0.6474481 -0.430981 0.2853981 ] [ -2.2832689 -2.6915467 -1.6198604 ] [ 2.0409248 1.8961562 -0.1886354 ] [ -0.2101687 -0.2161494 -0.1271494 ] [ -0.1060992 0.9094491 -3.2708287 ] [ 0.8041614 0.7662866 1.7433988 ] [ -0.1939391 0.6193042 -0.4533747 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.707963936519663e-18 "source-value" -35.626309 } }