{ "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" [ 5.39143 0 0 ] "si-unit" "m" "si-value" [ 5.39143e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.144963 5.17841 0 ] "si-unit" "m" "si-value" [ 1.44963e-11 5.178410000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.144779 0.421312 5.38784 ] "si-unit" "m" "si-value" [ -1.44779e-11 4.21312e-11 5.38784e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.15223 0.0692904 -0.00428898 ] [ 1.42734 1.24068 1.17973 ] [ -0.332931 2.76994 2.80275 ] [ 1.2591 4.25807 3.96691 ] [ 2.6931 0.104845 2.7319 ] [ 4.09744 1.52781 4.38962 ] [ 2.50984 2.47613 -0.202936 ] [ 4.16866 4.11218 1.07304 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5223e-11 6.929040000000001e-12 -4.288980000000001e-13 ] [ 1.42734e-10 1.24068e-10 1.17973e-10 ] [ -3.32931e-11 2.76994e-10 2.80275e-10 ] [ 1.2591e-10 4.25807e-10 3.96691e-10 ] [ 2.6931e-10 1.04845e-11 2.7319e-10 ] [ 4.09744e-10 1.52781e-10 4.38962e-10 ] [ 2.50984e-10 2.47613e-10 -2.02936e-11 ] [ 4.16866e-10 4.11218e-10 1.07304e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.4579006 -2.358176 -0.5634614 ] [ -0.5276161 2.0188417 3.9603047 ] [ 3.3630498 0.9325344 -1.808611 ] [ -1.4515839 -0.7005888 -1.4540332 ] [ 1.2449232 1.2648015 -0.3052907 ] [ -3.8822647 0.8463291 -3.8829656 ] [ 3.9400348 0.808964 1.6082239 ] [ -3.1444437 -2.8127058 2.4458332 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.336376420145803e-10 -3.778214486059583e-09 -9.027646892409276e-10 ] [ -8.453341871422074e-10 3.234540999484837e-09 6.345107653860379e-09 ] [ 5.388199808538373e-09 1.49408482608121e-09 -2.897714284195374e-09 ] [ -2.325693806870592e-09 -1.122467005402099e-09 -2.329618018100249e-09 ] [ 1.994586862164508e-09 2.026435409948151e-09 -4.891296261175038e-10 ] [ -6.220073789343019e-09 1.355968708694249e-09 -6.22119675494579e-09 ] [ 6.312631693706862e-09 1.296103218547176e-09 2.576658754820353e-09 ] [ -5.037954223068505e-09 -4.506451511076277e-09 3.918656803701449e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -32.213074 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.161103447211291e-18 } }