{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.891577 1.147444 4.176951 ] [ 1.947528 5.315412 2.001915 ] [ 3.037668 3.274696 0.9821769 ] [ 1.344392 3.383525 2.90788 ] [ 3.679276 1.837825 2.704146 ] [ 4.016034 4.351153 3.141989 ] [ 3.129852 3.103182 4.716137 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.891577e-10 1.147444e-10 4.176951e-10 ] [ 1.947528e-10 5.315412000000001e-10 2.001915e-10 ] [ 3.037668e-10 3.274696e-10 9.821769000000001e-11 ] [ 1.344392e-10 3.383525e-10 2.90788e-10 ] [ 3.679276000000001e-10 1.837825e-10 2.704146e-10 ] [ 4.016034e-10 4.351153e-10 3.141989e-10 ] [ 3.129852e-10 3.103182e-10 4.716137e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.1884181 7.3169538 -3.4371994 ] [ 4.8966465 -4.9125364 0.5128366 ] [ -1.9041865 2.5198008 10.0301665 ] [ 9.8475261 -4.1049225 1.5465287 ] [ -6.2611819 7.9710001 3.9017008 ] [ -6.5480164 -3.8345523 -6.1480556 ] [ -4.2192059 -4.9557435 -6.4059776 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.710585557955557e-09 1.172305231383372e-08 -5.507000519707788e-09 ] [ 7.845292542622148e-09 -7.870750968908997e-09 8.216548108105613e-10 ] [ -3.05084309194298e-09 4.037165930833137e-09 1.607009826903136e-08 ] [ 1.57774760901378e-08 -6.576810859695888e-09 2.477812126536218e-09 ] [ -1.003151925875613e-08 1.277095000461446e-08 6.251213803116656e-09 ] [ -1.049107878869498e-08 -6.143630046294868e-09 -9.850270945698517e-09 ] [ -6.759913051321424e-09 -7.939976374381564e-09 -1.026350754408849e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -35.692198 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.718520518056451e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8803948 1.3145378 4.0039392 ] [ 2.0573848 5.1982555 1.9678559 ] [ 2.9332978 3.3358686 1.1388754 ] [ 1.7406373 3.272949 2.9976326 ] [ 3.5853075 2.0362487 2.8000408 ] [ 3.7544147 4.2299779 2.9971848 ] [ 3.0948901 3.0253995 4.7256662 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8803948e-10 1.3145378e-10 4.0039392e-10 ] [ 2.0573848e-10 5.198255500000001e-10 1.9678559e-10 ] [ 2.9332978e-10 3.3358686e-10 1.1388754e-10 ] [ 1.7406373e-10 3.272949e-10 2.997632600000001e-10 ] [ 3.5853075e-10 2.0362487e-10 2.8000408e-10 ] [ 3.7544147e-10 4.2299779e-10 2.9971848e-10 ] [ 3.0948901e-10 3.0253995e-10 4.7256662e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0001094 -1.1e-06 0.0002417 ] [ -2.9e-05 -6.31e-05 1.66e-05 ] [ 0.0001305 0.000133 -0.0002016 ] [ -1.42e-05 -0.0001886 -5.25e-05 ] [ -0.0001486 -7.32e-05 -6.55e-05 ] [ 0.0001014 0.0002508 9.91e-05 ] [ 6.92e-05 -5.78e-05 -3.79e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.7527812231552e-13 -1.76239428288e-15 3.8724608924736e-13 ] [ -4.64631220032e-14 -1.0109734477248e-13 2.659613190528e-14 ] [ 2.090840490144e-13 2.130894905664e-13 -3.2299880675328e-13 ] [ -2.275090801536e-14 -3.0217051068288e-13 -8.4114272592e-14 ] [ -2.3808344585088e-13 -1.1727932864256e-13 -1.049425686624e-13 ] [ 1.6246070934912e-13 4.018258964966401e-13 1.5877570312128e-13 ] [ 1.1087062215936e-13 -9.260580868224001e-14 -6.072249392832e-14 ] ] } "relaxed-potential-energy" { "source-value" -49.241665 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.889384443226563e-18 } }