{ "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" [ [ 16.0935409 10.6377318 -17.9417172 ] [ -6.6831926 9.4313172 -3.7968923 ] [ 0.6387901 0.7084734 -16.626756 ] [ -1.8770265 0.5719281 15.9179195 ] [ 9.8062559 1.2932076 -0.8430041 ] [ -6.9505861 -3.7930353 10.3367886 ] [ 0.2645632 -1.7851095 -3.040362 ] [ -11.292345 -17.0645134 15.9940235 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.578469518830333e-08 1.704352532871876e-08 -2.87458000716759e-08 ] [ -1.070765502424171e-08 1.511063604568231e-08 -6.083292124874517e-09 ] [ 1.023454572250523e-09 1.135099527290536e-09 -2.66389999624193e-08 ] [ -3.007327999698801e-09 9.163298381480154e-10 2.550331868479296e-08 ] [ 1.571135407000464e-08 2.071946999631218e-09 -1.350641471386199e-09 ] [ -1.113606664202518e-08 -6.077112529597179e-09 1.656136116551757e-08 ] [ 4.238769772562687e-10 -2.860060730031423e-09 -4.871196955301507e-09 ] [ -1.809233130206673e-08 -2.734036464005989e-08 2.56252507353469e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -31.613225 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.064997042038465e-18 } }