{ "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" [ [ 1.4485927 0.9773473 -1.769604 ] [ -0.6852503 2.3122988 -1.057829 ] [ 0.300301 -0.1369915 -1.8953699 ] [ -0.3290821 -0.440012 3.0373348 ] [ 0.572489 0.2863274 -0.0157702 ] [ -0.9438168 0.377611 1.8077508 ] [ 0.1107078 -0.7455465 -0.9715023 ] [ -0.4739414 -2.6310344 0.8649898 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.320901376122972e-09 1.565883007362988e-09 -2.835218180232936e-09 ] [ -1.09789201910149e-09 3.704711108186239e-09 -1.694828906567586e-09 ] [ 4.811352453668339e-10 -2.19484580356611e-10 -3.036717366566916e-09 ] [ -5.272476512876514e-10 -7.04976945079608e-10 4.866346846195063e-09 ] [ 9.172284990220259e-10 4.587470699539716e-10 -2.52666459535068e-11 ] [ -1.512161223736651e-09 6.049995209413738e-10 2.896336091854807e-09 ] [ 1.773734503615452e-10 -1.194497181860481e-09 -1.556518284937258e-09 ] [ -7.593378369652476e-10 -4.215381838930209e-09 1.385866446208333e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.987123 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.765772759548397e-18 } }