{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.420700000000001e-10 0.0 0.0 ] "source-value" [ 5.4207 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -1.21917e-11 5.37017e-10 0.0 ] "source-value" [ -0.121917 5.37017 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -3.28689e-12 -3.00504e-11 5.4102e-10 ] "source-value" [ -0.0328689 -0.300504 5.4102 ] } "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" [ [ 1.764794279370894e-08 1.679923330804422e-08 -2.564324184615374e-08 ] [ -6.485426230034022e-09 -8.429072655173752e-08 2.862900788833073e-08 ] [ -1.35472230024232e-08 4.498648729609369e-08 1.50966186381512e-08 ] [ 1.224876042926256e-09 -1.006915374670807e-08 -1.903133642910286e-09 ] [ -8.884140338760301e-09 -7.628850978129709e-09 -1.22043442481101e-08 ] [ -4.478738785156246e-09 -1.439593024504065e-09 1.676870463362319e-08 ] [ 3.551386379950732e-08 5.522233934909523e-08 -5.521495187291439e-08 ] [ -2.099115427976874e-08 -1.357973565215377e-08 3.447134028976572e-08 ] ] "source-value" [ [ 11.014979599999998 10.485256799999998 -16.005252799999997 ] [ -4.047884699999999 -52.610133899999994 17.868821399999998 ] [ -8.455511599999998 28.078357099999998 9.422568299999998 ] [ 0.7645074999999999 -6.284671499999999 -1.1878425999999997 ] [ -5.545044299999999 -4.761554299999999 -7.617352599999999 ] [ -2.7954088999999995 -0.8985232999999999 10.466202299999999 ] [ 22.166010499999995 34.46707349999999 -34.462462599999995 ] [ -13.101648099999998 -8.475804399999998 21.515318499999996 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 5.12752e-12 -3.3658e-11 -1.35216e-11 ] [ 1.26577e-10 1.35967e-10 1.6251e-10 ] [ 3.38464e-12 2.52642e-10 2.69707e-10 ] [ 1.45988e-10 3.83229e-10 4.06608e-10 ] [ 2.77794e-10 -9.3605e-12 2.9072e-10 ] [ 4.03914e-10 1.38604e-10 3.72159e-10 ] [ 2.13334e-10 2.58123e-10 3.77362e-11 ] [ 4.243520000000001e-10 4.40881e-10 1.44889e-10 ] ] "source-value" [ [ 0.0512752 -0.33658 -0.135216 ] [ 1.26577 1.35967 1.6251 ] [ 0.0338464 2.52642 2.69707 ] [ 1.45988 3.83229 4.06608 ] [ 2.77794 -0.093605 2.9072 ] [ 4.03914 1.38604 3.72159 ] [ 2.13334 2.58123 0.377362 ] [ 4.24352 4.40881 1.44889 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -8.059550660815759e-18 "source-value" -50.303759 } }