{ "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" [ [ 2.1509094 -2.0905129 1.1877936 ] [ -0.2023863 2.1069436 3.9678903 ] [ 0.7367796 -0.4001783 -1.9122459 ] [ -1.1583206 -0.2813993 -2.5393996 ] [ 1.5869004 0.3508316 0.1579585 ] [ -3.0677648 1.6781451 -2.1142486 ] [ 1.6485986 0.6890403 0.580721 ] [ -1.6947164 -2.0528701 0.6715307 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.446136754138956e-09 -3.349370893860808e-09 1.903055136255867e-09 ] [ -3.242585982302151e-10 3.375695777264187e-09 6.357261072559098e-09 ] [ 1.180451049802376e-09 -6.411563164114886e-10 -3.063755674200654e-09 ] [ -1.855834184711029e-09 -4.508513795694855e-10 -4.068566669988872e-09 ] [ 2.542494720418168e-09 5.620941873578573e-10 2.530774157566368e-10 ] [ -4.915101040673187e-09 2.688684845530078e-09 -3.387399677479131e-09 ] [ 2.641346134003611e-09 1.103964259449018e-09 9.304176094075969e-10 ] [ -2.715234994966341e-09 -3.289060479759358e-09 1.075910787689459e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 702.33662 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.125267312495694e-16 } }