{ "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" [ [ -1.9531134 -2.7066435 -2.9578894 ] [ 2.691457 2.69268 1.4077529 ] [ -0.3908424 0.2813458 -0.3546606 ] [ 0.5309837 0.1713603 1.4557607 ] [ 0.1398777 -0.7981944 -1.3017285 ] [ -0.0095823 0.1579318 0.1052811 ] [ -0.8337149 0.1353316 0.3337759 ] [ -0.1750653 0.0661884 1.3117079 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.129232627251199e-09 -4.336520936540286e-09 -4.739061243592139e-09 ] [ 4.312189481288506e-09 4.314148943295744e-09 2.2554687842434e-09 ] [ -6.261985556973619e-10 4.507656631202726e-10 -5.682289216389005e-10 ] [ 8.507296701658809e-10 2.745494663932743e-10 2.332385759019442e-09 ] [ 2.241087807112762e-10 -1.278848406533483e-09 -2.085598969329053e-09 ] [ -1.535253703349184e-11 2.530346376408614e-10 1.686789170321069e-10 ] [ -1.33575852119261e-09 2.168251255754573e-10 5.347679435664788e-10 ] [ -2.804855307733383e-10 1.060455070481587e-10 2.101587730698664e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.947455 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.759417197826006e-18 } }