{ "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" [ [ 1.6298801 1.0911511 -1.9613555 ] [ -0.7080422 2.1583244 -0.9081147 ] [ 0.2794925 -0.1404093 -1.9574729 ] [ -0.3306613 -0.3806941 2.9167602 ] [ 0.6501152 0.3097242 -0.1160469 ] [ -0.9983262 0.342071 1.7844863 ] [ 0.1561425 -0.7203729 -0.9249302 ] [ -0.6786005 -2.6597943 1.1666736 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.611355812441583e-09 1.748216796583397e-09 -3.142437953067387e-09 ] [ -1.134408668725955e-09 3.458016922272069e-09 -1.45496015333192e-09 ] [ 4.477963528782449e-10 -2.249604996562962e-10 -3.136217342068218e-09 ] [ -5.297778086280642e-10 -6.099391917216593e-10 4.673165039421167e-09 ] [ 1.041599382848237e-09 4.962328762243427e-10 -1.859276316281346e-10 ] [ -1.599494910750011e-09 5.48058163369014e-10 2.859062253553114e-09 ] [ 2.50167865074345e-10 -1.154164628146818e-09 -1.481901554520947e-09 ] [ -1.087237864920717e-09 -4.261460278706386e-09 1.869217181424662e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.008861 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.769255571115388e-18 } }