{ "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" [ 5.37815 0 0 ] "si-unit" "m" "si-value" [ 5.37815e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0312137 5.76118 0 ] "si-unit" "m" "si-value" [ 3.12137e-12 5.761180000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.42726 0.0546964 4.8758 ] "si-unit" "m" "si-value" [ 4.2726e-11 5.469640000000001e-12 4.8758e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0437527 -0.0672423 0.175944 ] [ 1.47307 1.39309 1.21037 ] [ 0.198849 2.42305 2.74052 ] [ 1.63292 4.13291 3.99992 ] [ 2.96978 -0.0953104 2.87815 ] [ 4.41344 1.46946 3.21135 ] [ 3.02165 2.84712 -0.591788 ] [ 4.21555 4.28981 0.802839 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.37527e-12 -6.724230000000001e-12 1.75944e-11 ] [ 1.47307e-10 1.39309e-10 1.21037e-10 ] [ 1.98849e-11 2.42305e-10 2.74052e-10 ] [ 1.63292e-10 4.13291e-10 3.99992e-10 ] [ 2.96978e-10 -9.531040000000001e-12 2.878150000000001e-10 ] [ 4.41344e-10 1.46946e-10 3.21135e-10 ] [ 3.02165e-10 2.84712e-10 -5.91788e-11 ] [ 4.215550000000001e-10 4.28981e-10 8.02839e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 5.3829613 9.5495496 -5.6712247 ] [ 3.0768389 -0.9252581 -1.2153688 ] [ 31.9739547 29.0803095 -13.683302 ] [ -0.0869446 -0.421352 -3.4004043 ] [ -1.9615007 -2.7987338 -5.6547269 ] [ -25.4230216 -29.6709894 13.4731791 ] [ -3.3054505 1.8002695 6.8653038 ] [ -9.6568376 -6.6137952 9.2865438 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.624454745531175e-09 1.530006510828999e-08 -9.086303625643494e-09 ] [ 4.929639351547989e-09 -1.482426896025828e-09 -1.947235477009751e-09 ] [ 5.122792269485828e-08 4.659179200652814e-08 -2.192306655974588e-08 ] [ -1.393006054248077e-10 -6.750803235273217e-10 -5.448048270727789e-09 ] [ -3.142670563222835e-09 -4.484065862202743e-09 -9.059871236188859e-09 ] [ -4.073217083761341e-08 -4.753816553268462e-08 2.158641256187118e-08 ] [ -5.29591551231167e-09 2.884349704039306e-09 1.09994292430494e-08 ] [ -1.547195943358238e-08 -1.059646804419926e-08 1.487868336439519e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -14.983137 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.400563180764345e-18 } }