{ "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" [ [ 0.5775952 -0.7057494 3.9732855 ] [ -0.7217491 -0.3530432 0.4146228 ] [ -2.094221 -2.517014 -1.5984264 ] [ 1.7866321 1.6166611 -0.3449423 ] [ -0.3297071 -0.0940121 -0.2775844 ] [ -0.0187404 0.5806638 -3.5414942 ] [ 1.0230854 0.8644515 1.5978257 ] [ -0.2228951 0.6080425 -0.2232866 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.254095333505567e-10 -1.130735198139519e-09 6.365905188311007e-09 ] [ -1.156369543630529e-09 -5.656375658325888e-10 6.642989620836551e-10 ] [ -3.355311952632114e-09 -4.032701018250875e-09 -2.560961429248737e-09 ] [ 2.862500204174351e-09 2.590176639516737e-09 -5.526584931382181e-10 ] [ -5.282490116839013e-10 -1.506239899332714e-10 -4.447392396429095e-10 ] [ -3.00254309918136e-11 9.30325972569649e-10 -5.674099256686522e-09 ] [ 1.639163522466544e-09 1.385003994526251e-09 2.559999001744693e-09 ] [ -3.571173210530934e-10 9.74191485978945e-10 -3.577445732053044e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.755341 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.728637189090219e-18 } }