{ "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" [ 5.4207 0 0 ] "si-unit" "m" "si-value" [ 5.420700000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.121917 5.37017 0 ] "si-unit" "m" "si-value" [ -1.21917e-11 5.37017e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0328689 -0.300504 5.4102 ] "si-unit" "m" "si-value" [ -3.28689e-12 -3.00504e-11 5.4102e-10 ] } "unrelaxed-configuration-positions" { "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 ] ] "source-unit" "angstrom" "si-unit" "m" "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 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.9416274999999998 10.978532599999998 -0.9927125999999998 ] [ 1.4762676999999997 -17.412706499999995 -5.722663699999999 ] [ -0.9409801999999999 7.300265499999999 -2.9819546999999997 ] [ 0.7365034999999999 -0.35610079999999994 3.0898913999999995 ] [ -2.5467943999999996 -0.37713269999999993 -3.8798800999999994 ] [ -2.7893669999999995 -1.3147485999999997 12.288827499999998 ] [ 8.427533499999997 7.410935199999999 -7.4520732999999995 ] [ -5.304790599999999 -6.229044699999999 5.650565499999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.508653578431835e-09 1.758954840732726e-08 -1.590500931997388e-09 ] [ 2.365241614468921e-09 -2.789823148899991e-08 -9.168718064379984e-09 ] [ -1.507616489496646e-09 1.169631480609632e-08 -4.777618143986479e-09 ] [ 1.180008698559219e-09 -5.705363811087071e-10 4.950551802677546e-09 ] [ -4.080414479282049e-09 -6.042331998573317e-10 -6.216253238941582e-09 ] [ -4.469058631050677e-09 -2.106459486504212e-09 1.968887227975663e-08 ] [ 1.350239725595223e-08 1.187362721352811e-08 -1.193953771611527e-08 ] [ -8.499211547582837e-09 -9.980029870481537e-09 9.053204012986524e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -21.44226 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.435428795215284e-18 } }