{ "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" [ 5.44976 0 0 ] "si-unit" "m" "si-value" [ 5.449760000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0355309 5.38277 0 ] "si-unit" "m" "si-value" [ -3.55309e-12 5.38277e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.05055 0.148675 5.46244 ] "si-unit" "m" "si-value" [ 5.055e-12 1.48675e-11 5.46244e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0326933 -0.0289977 0.141129 ] [ 1.38935 1.3881 1.19735 ] [ 0.0127821 2.83796 2.59214 ] [ 1.40644 4.238 3.96398 ] [ 2.76811 0.0511022 2.83036 ] [ 4.1335 1.52222 4.23862 ] [ 2.69114 2.71897 0.000278438 ] [ 4.17588 4.12802 1.32379 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.26933e-12 -2.89977e-12 1.41129e-11 ] [ 1.38935e-10 1.3881e-10 1.19735e-10 ] [ 1.27821e-12 2.83796e-10 2.59214e-10 ] [ 1.40644e-10 4.238000000000001e-10 3.96398e-10 ] [ 2.76811e-10 5.11022e-12 2.830360000000001e-10 ] [ 4.1335e-10 1.52222e-10 4.23862e-10 ] [ 2.69114e-10 2.71897e-10 2.78438e-14 ] [ 4.17588e-10 4.12802e-10 1.32379e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.0324801 1.2945784 -3.7518758 ] [ 0.0195948 0.1523739 3.1836787 ] [ 0.9475964 -1.3203418 1.5255723 ] [ -1.8544841 -2.0909644 2.3631393 ] [ 1.8939255 2.4585099 -2.3827997 ] [ 0.3777956 -0.5236749 -1.5163246 ] [ 0.8617095 1.2978064 -0.9077057 ] [ -3.2786178 -1.2682875 1.4863154 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.654215477661246e-09 2.074143246272671e-09 -6.011167690905297e-09 ] [ 3.139433044925184e-11 2.441299002001172e-10 5.100815581278938e-09 ] [ 1.518216798034245e-09 -2.11542076342499e-09 2.444236272400084e-09 ] [ -2.97121106866533e-09 -3.350094276605099e-09 3.786166538153677e-09 ] [ 3.03440315763695e-09 3.938967083785346e-09 -3.817665971389254e-09 ] [ 6.052952777611085e-10 -8.39019681679778e-10 -2.429419823663911e-09 ] [ 1.380610814821258e-09 2.079315072404613e-09 -1.454304851106898e-09 ] [ -5.252924787698731e-09 -2.03202058095288e-09 2.381339785015001e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.282022 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.652803078295126e-18 } }