{ "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" [ 5.44038 0 0 ] "si-unit" "m" "si-value" [ 5.44038e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0177809 5.34742 0 ] "si-unit" "m" "si-value" [ 1.77809e-12 5.34742e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.258508 -0.216411 5.45927 ] "si-unit" "m" "si-value" [ 2.58508e-11 -2.16411e-11 5.459270000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0111666 -0.0485116 -0.0844937 ] [ 1.40892 1.32935 1.34318 ] [ 0.251238 2.67562 2.78628 ] [ 1.4893 4.10816 4.17197 ] [ 2.79244 -0.0558727 2.81547 ] [ 4.18247 1.3542 3.88471 ] [ 2.61313 2.71504 -0.144964 ] [ 4.08224 4.0407 1.29994 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.11666e-12 -4.851160000000001e-12 -8.44937e-12 ] [ 1.40892e-10 1.32935e-10 1.34318e-10 ] [ 2.51238e-11 2.67562e-10 2.78628e-10 ] [ 1.4893e-10 4.10816e-10 4.17197e-10 ] [ 2.79244e-10 -5.58727e-12 2.81547e-10 ] [ 4.182470000000001e-10 1.3542e-10 3.88471e-10 ] [ 2.61313e-10 2.71504e-10 -1.44964e-11 ] [ 4.08224e-10 4.0407e-10 1.29994e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.4414964 5.8832945 4.0122317 ] [ 0.3020983 -1.1302963 -0.8009596 ] [ -0.9239367 1.7239695 -1.8910911 ] [ 3.1327432 -3.426715 -2.0745814 ] [ 0.5321805 -0.0027741 -2.7792449 ] [ 3.0981262 -0.9502803 0.7738146 ] [ 0.013399 0.4769903 2.161994 ] [ 0.2868858 -2.5741886 0.5978366 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.032041502007512e-08 9.426076978840713e-09 6.428303879934098e-09 ] [ 4.840148374311222e-10 -1.810934321356654e-09 -1.283278755897986e-09 ] [ -1.480309792035068e-09 2.762103650628663e-09 -3.029861973185357e-09 ] [ 5.019207955362388e-09 -5.49020270437731e-09 -3.323845844411007e-09 ] [ 8.526471621704368e-10 -4.444598200379399e-12 -4.452841238943667e-09 ] [ 4.96374540682321e-09 -1.52251689241051e-09 1.239787671168056e-09 ] [ 2.1467564718966e-11 7.642227133046501e-10 3.463896269648196e-09 ] [ 4.596417253863972e-10 -4.124304826429172e-09 9.578398314700043e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -327.69573 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.250264416675728e-17 } }