{ "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" [ 5.45189 0 0 ] "si-unit" "m" "si-value" [ 5.451889999999999e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.103872 5.48254 0 ] "si-unit" "m" "si-value" [ 1.03872e-11 5.482540000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0133572 0.0848103 5.46172 ] "si-unit" "m" "si-value" [ -1.33572e-12 8.481030000000001e-12 5.46172e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0515087 0.139447 0.129479 ] [ 1.28089 1.29793 1.3896 ] [ -0.0267641 2.78569 2.67144 ] [ 1.28772 4.21003 3.97686 ] [ 2.71226 0.0930415 2.84614 ] [ 4.11731 1.46571 4.11351 ] [ 2.72029 2.73709 -0.0733662 ] [ 4.08924 4.18171 1.22387 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.15087e-12 1.39447e-11 1.29479e-11 ] [ 1.28089e-10 1.29793e-10 1.3896e-10 ] [ -2.67641e-12 2.78569e-10 2.67144e-10 ] [ 1.28772e-10 4.21003e-10 3.97686e-10 ] [ 2.71226e-10 9.304150000000001e-12 2.84614e-10 ] [ 4.11731e-10 1.46571e-10 4.11351e-10 ] [ 2.72029e-10 2.73709e-10 -7.336620000000001e-12 ] [ 4.089240000000001e-10 4.18171e-10 1.22387e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.2650523 -1.1873401 -0.8601982 ] [ 1.6338611 1.1713471 0.6316676 ] [ -0.2443541 0.4494577 -0.2825752 ] [ -0.4377069 -0.1454762 0.2149892 ] [ 0.8228976 -0.4351901 0.1158876 ] [ 0.0207179 0.0357344 -0.117113 ] [ -0.6913832 0.1788064 0.4316061 ] [ -0.8389802 -0.0673393 -0.1342642 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.246605983492679e-10 -1.902328549158334e-09 -1.378189445294242e-09 ] [ 2.617734056054571e-09 1.87670493846188e-09 1.012043060836846e-09 ] [ -3.914984262166253e-10 7.201106189785402e-10 -4.527353790578842e-10 ] [ -7.012837619428435e-10 -2.33078566522825e-10 3.444506699644954e-10 ] [ 1.31842729603243e-09 -6.97251403823614e-10 1.856724033606221e-10 ] [ 3.319373501207232e-11 5.725282023831552e-11 -1.876357105917504e-10 ] [ -1.107717999053891e-09 2.864794337294131e-10 6.915092028146669e-10 ] [ -1.344194461754108e-09 -1.078894521210375e-10 -2.151149622504154e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 640.24071 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.025778697246393e-16 } }