{ "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" [ 5.41852 0 0 ] "si-unit" "m" "si-value" [ 5.418520000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.038783 5.47951 0 ] "si-unit" "m" "si-value" [ 3.8783e-12 5.479510000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.00323821 0.0198894 5.39896 ] "si-unit" "m" "si-value" [ 3.23821e-13 1.98894e-12 5.39896e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0136142 -0.0297439 -0.141562 ] [ 1.34075 1.30471 1.3715 ] [ -0.0280615 2.73239 2.73273 ] [ 1.33689 4.08129 3.93514 ] [ 2.80172 0.157681 2.72105 ] [ 4.07194 1.39009 4.01929 ] [ 2.65272 2.79754 0.0144035 ] [ 4.02421 4.07244 1.32124 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.36142e-12 -2.97439e-12 -1.41562e-11 ] [ 1.34075e-10 1.30471e-10 1.3715e-10 ] [ -2.80615e-12 2.73239e-10 2.73273e-10 ] [ 1.33689e-10 4.08129e-10 3.93514e-10 ] [ 2.80172e-10 1.57681e-11 2.72105e-10 ] [ 4.07194e-10 1.39009e-10 4.01929e-10 ] [ 2.65272e-10 2.79754e-10 1.44035e-12 ] [ 4.02421e-10 4.072440000000001e-10 1.32124e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.6116485 0.762682 -3.4755106 ] [ 3.135427 -0.1960415 1.2410904 ] [ -0.3124412 1.3798168 -1.8671156 ] [ -2.9714771 -2.2524665 7.3805698 ] [ -4.3935136 -0.1571546 -9.3368935 ] [ 6.2895372 0.0118437 2.7947801 ] [ -1.5282565 4.4210702 2.4112203 ] [ -2.8309243 -3.9697501 0.8518591 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.184322168447389e-09 1.221951269504986e-09 -5.56838182866258e-09 ] [ 5.023507835625082e-09 -3.140931080065632e-10 1.98844602317932e-09 ] [ -5.005859860146969e-10 2.21071021794707e-09 -2.991448962650965e-09 ] [ -4.760831138862583e-09 -3.608849165435204e-09 1.182497638174253e-08 ] [ -7.039184773086844e-09 -2.517894259711757e-10 -1.495935247659949e-08 ] [ 1.00769494574919e-08 1.897569924376896e-11 4.477731336497086e-09 ] [ -2.448536834885635e-09 7.08333531335558e-09 3.863200792258362e-09 ] [ -4.535640728714606e-09 -6.360240800638462e-09 1.364828734235729e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.714117 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.677896749471584e-18 } }