{ "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" [ [ 4.5658796 2.731098 -5.3955369 ] [ -1.9223078 4.0864953 -1.2776726 ] [ 0.4565325 -0.0497941 -5.5521407 ] [ -0.7728642 -0.2484588 6.4490845 ] [ 2.2955357 0.6145783 -0.6405126 ] [ -2.4653037 -0.0722842 4.140814 ] [ 0.3199785 -1.1432292 -1.8244219 ] [ -2.4774506 -5.9184053 4.1003861 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.315345608777265e-09 4.375701400764131e-09 -8.644603149064794e-09 ] [ -3.079876640515945e-09 6.54728728461082e-09 -2.047057185622028e-09 ] [ 7.314457041616049e-10 -7.977894353105939e-11 -8.895510098220402e-09 ] [ -1.238264962495103e-09 -3.980748838716792e-10 1.033257249659157e-08 ] [ 3.677853661052833e-09 9.846629920234423e-10 -1.026214321502588e-09 ] [ -3.949851983853746e-09 -1.158120562473828e-10 6.634315436540075e-09 ] [ 5.126620760823689e-10 -1.831655111546512e-09 -2.923046138737884e-09 ] [ -3.96931346320928e-09 -9.482330682201758e-09 6.569542799798386e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.977495 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.604012520485182e-18 } }