{ "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" [ 5.23298 0 0 ] "si-unit" "m" "si-value" [ 5.23298e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.924429 5.53043 0 ] "si-unit" "m" "si-value" [ -9.24429e-11 5.53043e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.629107 -0.473789 5.46851 ] "si-unit" "m" "si-value" [ -6.29107e-11 -4.73789e-11 5.46851e-10 ] } "unrelaxed-configuration-positions" { "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 ] ] "source-unit" "angstrom" "si-unit" "m" "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 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.5113348 1.4381166 2.1161949 ] [ -31.4928624 -38.0342557 22.5540875 ] [ -2.2689407 -5.7438448 -9.6710156 ] [ 4.9660105 7.2862653 9.0723397 ] [ 1.762942 -3.5709469 5.6852582 ] [ -2.2052915 -2.8728932 4.2946424 ] [ 20.0464896 32.4568089 -37.1714837 ] [ 5.6803178 9.0407496 3.1199767 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.625778524361444e-09 2.304116794504385e-09 3.390517993836194e-09 ] [ -5.045712785935138e-08 -6.093759527206914e-08 3.613563169597752e-08 ] [ -3.635243743521586e-09 -9.202653852063651e-09 -1.549467509371209e-08 ] [ 7.956425921747318e-09 1.16738839166063e-08 1.453549056329569e-08 ] [ 2.824544456226394e-09 -5.721287637298235e-09 9.108787771251491e-09 ] [ -3.533266483348963e-09 -4.602882319095299e-09 6.880775647976402e-09 ] [ 3.211801696623034e-08 5.200154040535336e-08 -5.955528214458828e-08 ] [ 9.10087237787409e-09 1.448487764362695e-08 4.998753726180736e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -21.459576 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.438203095948078e-18 } }