{ "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" [ 5.43856 0 0 ] "si-unit" "m" "si-value" [ 5.43856e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00547847 5.34673 0 ] "si-unit" "m" "si-value" [ -5.47847e-13 5.34673e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0698619 0.130192 5.52638 ] "si-unit" "m" "si-value" [ -6.986190000000001e-12 1.30192e-11 5.526379999999999e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0176967 -0.0436428 -0.0335652 ] [ 1.35227 1.24207 1.37266 ] [ -0.0530244 2.758 2.7242 ] [ 1.3158 4.14206 3.88387 ] [ 2.73162 0.0656859 2.694 ] [ 4.07939 1.42095 3.99542 ] [ 2.69114 2.74306 -0.00706676 ] [ 4.05369 4.20359 1.27338 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.76967e-12 -4.36428e-12 -3.35652e-12 ] [ 1.35227e-10 1.24207e-10 1.37266e-10 ] [ -5.30244e-12 2.758e-10 2.7242e-10 ] [ 1.3158e-10 4.14206e-10 3.88387e-10 ] [ 2.73162e-10 6.568590000000001e-12 2.694e-10 ] [ 4.07939e-10 1.42095e-10 3.99542e-10 ] [ 2.69114e-10 2.74306e-10 -7.06676e-13 ] [ 4.05369e-10 4.20359e-10 1.27338e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.6973398 0.5329052 -2.0819855 ] [ -0.6982647 2.7705489 -0.5852602 ] [ 0.4925349 -0.3045357 -2.6865277 ] [ -0.3760782 -0.3676306 3.6409616 ] [ 0.3924717 0.3835874 -0.5401473 ] [ -1.7519334 1.2297781 2.8326909 ] [ 0.5704962 -1.3777043 -1.779417 ] [ -0.3265664 -2.8669491 1.1996853 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.719438145113348e-09 8.538082525427481e-10 -3.335708492944599e-09 ] [ -1.118743377469926e-09 4.438908674363157e-09 -9.376902095247322e-10 ] [ 7.891279017080659e-10 -4.879199787389627e-10 -4.304291872071596e-09 ] [ -6.025436996325465e-10 -5.890091524106764e-10 5.833463552750561e-09 ] [ 6.288089820656313e-10 6.14574764313458e-10 -8.654113758482439e-10 ] [ -2.806906734678655e-09 1.970321720591845e-09 4.538471133932911e-09 ] [ 9.14035673895241e-10 -2.207325619835629e-09 -2.850940316054074e-09 ] [ -5.232170512188211e-10 -4.593358821043601e-09 1.922107739977434e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.89893 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.751642635773575e-18 } }