{ "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" [ [ 4.959104501128136e-09 -6.914560906596873e-09 1.620331364743271e-09 ] [ -1.834243893439776e-10 2.641038996745404e-09 6.421862756521699e-09 ] [ 3.466704856726138e-09 1.152973560537994e-09 -2.056348831851418e-09 ] [ -3.031017438001876e-09 -4.57445457887712e-11 -2.787338550520514e-09 ] [ 2.326844470958744e-09 1.054085937760921e-09 -3.424936112221882e-10 ] [ -9.434901529790931e-09 4.393879660653235e-09 -6.957037973385185e-09 ] [ 5.835524913190883e-09 7.515996380660813e-10 1.618764756443453e-09 ] [ -3.938835384867116e-09 -3.03327234137799e-09 2.482260089270882e-09 ] ] "source-value" [ [ 3.0952296 -4.3157295 1.0113313 ] [ -0.1144845 1.6484069 4.0082115 ] [ 2.163747 0.7196295 -1.283472 ] [ -1.8918123 -0.0285515 -1.7397199 ] [ 1.4523021 0.6579087 -0.2137677 ] [ -5.8888024 2.742444 -4.3422416 ] [ 3.6422482 0.4691116 1.0103535 ] [ -2.4584277 -1.8932197 1.5493049 ] ] } "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" -5.273204818929493e-18 "source-value" -32.912756 } }