{ "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" [ [ 5.3579462 3.2520636 -6.2177003 ] [ -2.2909839 4.5710408 -1.4579727 ] [ 0.4651813 0.0093799 -6.4273389 ] [ -0.8088186 -0.1899448 7.0387993 ] [ 2.9375688 0.667924 -0.6060485 ] [ -2.8919193 -0.3549461 4.5578006 ] [ 0.3099056 -1.2381003 -1.8666951 ] [ -3.0788801 -6.7174171 4.9791555 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.584376207869088e-09 5.210380312201922e-09 -9.961854137874789e-09 ] [ -3.670560873450192e-09 7.323614762820665e-09 -2.335929792949891e-09 ] [ 7.453026094337441e-10 1.50282566092566e-11 -1.029773220437926e-08 ] [ -1.295870262064592e-09 -3.043251203098031e-10 1.127739976987555e-08 ] [ 4.706504092127419e-09 1.070132226087816e-09 -9.709967457707488e-10 ] [ -4.633365529873635e-09 -5.686863477494274e-10 7.30240162375118e-09 ] [ 4.965235110657503e-10 -1.98365537120839e-09 -2.990775272022293e-09 ] [ -4.932909755107583e-09 -1.076248871845204e-08 7.977486599152585e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.667086 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.554279515806852e-18 } }