{ "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" [ [ 7.466304392113715e-09 -8.597382606951856e-09 3.860200876753577e-09 ] [ -8.872041822443654e-10 2.817559607030354e-09 6.237454470514889e-09 ] [ 4.701383657089096e-09 6.43844768781191e-10 -2.318142408860531e-09 ] [ -2.862497777325877e-09 -2.015906689589184e-10 -2.54432120176588e-09 ] [ 2.693276843942953e-09 7.636989554710387e-10 -2.790948414664839e-10 ] [ -1.209803310017821e-08 6.85148882065415e-09 -1.003567450382217e-08 ] [ 5.622966223738954e-09 1.397155851913611e-09 2.004680077789576e-09 ] [ -4.636195896918606e-09 -3.674774567721909e-09 3.074897530857022e-09 ] ] "source-value" [ [ 4.6601007 -5.3660642 2.4093479 ] [ -0.5537493 1.7585824 3.8931129 ] [ 2.9343729 0.4018563 -1.4468707 ] [ -1.7866306 -0.125823 -1.5880404 ] [ 1.6810112 0.4766634 -0.1741973 ] [ -7.5509984 4.276363 -6.2637754 ] [ 3.5095795 0.8720361 1.2512229 ] [ -2.8936859 -2.2936139 1.9192001 ] ] } "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" -5.242752728550934e-18 "source-value" -32.722689 } }