{ "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" [ [ -0.0313174 -0.2507998 1.3938888 ] [ -0.450854 0.6868927 -0.731516 ] [ 0.0509663 -0.1895628 -1.2699976 ] [ 1.0354936 0.9521952 0.3057798 ] [ -1.2691836 -2.2774924 -0.8086535 ] [ -0.0187103 1.1409125 1.397016 ] [ -0.072323 -1.0583661 -0.4706829 ] [ 0.7559285 0.9962207 0.1841654 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.017600610424192e-11 -4.018255760613159e-10 2.233256047354967e-09 ] [ -7.223477381941632e-10 1.100523424938188e-09 -1.172017832941133e-09 ] [ 8.165701430867904e-11 -3.037130863333863e-10 -2.03476046319211e-09 ] [ 1.659043636908027e-09 1.52558488787798e-09 4.899132466728998e-10 ] [ -2.033456291422779e-09 -3.648945077329681e-09 -1.295605732028093e-09 ] [ -2.997720522815424e-11 1.82794333387848e-09 2.238266374083533e-09 ] [ -1.158742197461184e-10 -1.695689421667275e-09 -7.541171381903444e-10 ] [ 1.211130969696413e-09 1.59612151469701e-09 2.950654982402803e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.481069 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.844911585359164e-18 } }