{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.39143e-10 0.0 0.0 ] "source-value" [ 5.39143 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.44963e-11 5.178410000000001e-10 0.0 ] "source-value" [ 0.144963 5.17841 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -1.44779e-11 4.21312e-11 5.38784e-10 ] "source-value" [ -0.144779 0.421312 5.38784 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 2.268022478938017e-09 -4.272227671577188e-09 3.032205772401523e-10 ] [ -3.573984360207636e-09 4.40572230936354e-09 5.416215424537425e-09 ] [ 6.561134843202658e-09 -5.152055272441728e-11 -2.952417857338669e-09 ] [ -3.020618029991588e-09 -1.653800353698797e-09 -2.074892584278219e-09 ] [ 3.483709558290999e-09 2.870553361157597e-09 1.215383146448016e-09 ] [ -7.012321398121214e-09 1.768205377483641e-09 -7.413825257117072e-09 ] [ 6.792932629734815e-09 2.647538867078327e-09 4.016817326443005e-09 ] [ -5.498875721846049e-09 -5.71447101664738e-09 1.489499384283026e-09 ] ] "source-value" [ [ 1.4155883 -2.6665148 0.1892554 ] [ -2.2307056 2.7498356 3.3805358 ] [ 4.0951383 -0.0321566 -1.8427543 ] [ -1.8853215 -1.032221 -1.2950461 ] [ 2.1743605 1.7916585 0.7585825 ] [ -4.3767468 1.103627 -4.6273458 ] [ 4.2398151 1.6524638 2.5071002 ] [ -3.4321283 -3.5666923 0.9296724 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.108053574381063e-18 "source-value" -31.881963 } }