{ "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" [ 5.33408 0 0 ] "si-unit" "m" "si-value" [ 5.33408e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.034982 5.4373 0 ] "si-unit" "m" "si-value" [ 3.4982e-12 5.437299999999999e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.179208 0.185424 5.40079 ] "si-unit" "m" "si-value" [ 1.79208e-11 1.85424e-11 5.40079e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0492126 -0.0420999 -0.0477888 ] [ 1.41891 1.35069 1.31795 ] [ 0.0600152 2.70621 2.67075 ] [ 1.52388 3.98641 4.19062 ] [ 2.7955 -0.0317733 2.51171 ] [ 4.14719 1.34284 3.96242 ] [ 2.77343 2.76788 -0.181612 ] [ 4.04692 4.12597 1.21449 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.92126e-12 -4.209990000000001e-12 -4.77888e-12 ] [ 1.41891e-10 1.35069e-10 1.31795e-10 ] [ 6.00152e-12 2.70621e-10 2.67075e-10 ] [ 1.52388e-10 3.98641e-10 4.19062e-10 ] [ 2.7955e-10 -3.17733e-12 2.51171e-10 ] [ 4.14719e-10 1.34284e-10 3.96242e-10 ] [ 2.77343e-10 2.76788e-10 -1.81612e-11 ] [ 4.04692e-10 4.12597e-10 1.21449e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 6.0026909 0.5080081 -0.4609312 ] [ -0.4968945 1.3842519 -3.7391733 ] [ 2.5088155 3.285722 -0.6292481 ] [ -14.6496063 13.3482413 -15.4348428 ] [ -3.1409861 0.7813379 7.5979872 ] [ -3.7975492 0.3343673 -0.5140658 ] [ 12.5776893 -13.1008848 13.139803 ] [ 0.9958403 -6.5410436 0.040471 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.61737110110443e-09 8.139187077027352e-10 -7.384931985215807e-10 ] [ -7.961127574631129e-10 2.217816049750104e-09 -5.990816091736671e-09 ] [ 4.019565573117027e-09 5.264307014219747e-09 -1.008166602808895e-09 ] [ -2.347125691115919e-08 2.138624031585378e-08 -2.472934448362313e-08 ] [ -5.032414537138787e-09 1.251841326638629e-09 1.217331755727108e-08 ] [ -6.084344594705392e-09 5.357154752336681e-10 -8.236242130985171e-10 ] [ 2.015167990617181e-08 -2.098993151128576e-08 2.10522853419631e-08 ] [ 1.59551205985555e-09 -1.047990721789524e-08 6.484169055461399e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -32.701125 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.239297838051324e-18 } }