{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.23298e-10 0.0 0.0 ] "source-value" [ 5.23298 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -9.24429e-11 5.53043e-10 0.0 ] "source-value" [ -0.924429 5.53043 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -6.29107e-11 -4.73789e-11 5.46851e-10 ] "source-value" [ -0.629107 -0.473789 5.46851 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 2.089040604928193e-09 6.288974222150996e-10 8.624020075013952e-11 ] [ -8.246868018912956e-09 -2.129476178266281e-09 1.319053106220515e-09 ] [ 7.475007896170886e-10 -2.048219067242155e-09 -3.988911735585544e-09 ] [ 7.536456176108429e-10 4.717834165760823e-09 3.311358612661681e-09 ] [ 2.269093053356035e-09 -3.747957189230191e-09 6.188141076303285e-09 ] [ -1.011250303844874e-09 -2.777190203586704e-09 2.014038551649331e-09 ] [ 1.127165218877161e-09 3.697820436453159e-10 -8.540707531603e-09 ] [ 2.27167303836851e-09 4.986328846486432e-09 -3.892121201787437e-10 ] ] "source-value" [ [ 1.3038766 0.3925269 0.0538269 ] [ -5.1472902 -1.3291145 0.8232882 ] [ 0.4665533 -1.2783978 -2.4896829 ] [ 0.4703886 2.9446405 2.0667875 ] [ 1.4162565 -2.3392909 3.8623339 ] [ -0.6311728 -1.7333858 1.257064 ] [ 0.7035212 0.2307998 -5.3306904 ] [ 1.4178668 3.1122217 -0.2429271 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 2.04863e-11 6.04192e-12 -5.94365e-12 ] [ 1.57212e-10 1.62558e-10 1.26329e-10 ] [ -4.56749e-11 2.61396e-10 2.82457e-10 ] [ 5.63094e-11 3.85296e-10 4.15247e-10 ] [ 2.57153e-10 7.262540000000001e-12 2.31215e-10 ] [ 3.48703e-10 1.34311e-10 4.102140000000001e-10 ] [ 2.49706e-10 2.93083e-10 3.28276e-11 ] [ 3.43659e-10 4.115e-10 1.72734e-10 ] ] "source-value" [ [ 0.204863 0.0604192 -0.0594365 ] [ 1.57212 1.62558 1.26329 ] [ -0.456749 2.61396 2.82457 ] [ 0.563094 3.85296 4.15247 ] [ 2.57153 0.0726254 2.31215 ] [ 3.48703 1.34311 4.10214 ] [ 2.49706 2.93083 0.328276 ] [ 3.43659 4.115 1.72734 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.078608452008677e-18 "source-value" -31.698181 } }