{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.372830000000001e-10 0.0 0.0 ] "source-value" [ 5.37283 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -2.56601e-11 5.36059e-10 0.0 ] "source-value" [ -0.256601 5.36059 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 4.33697e-12 -2.46629e-11 5.473760000000001e-10 ] "source-value" [ 0.0433697 -0.246629 5.47376 ] } "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" [ [ 3.173244579242237e-09 4.358703552508247e-09 -5.95664385810519e-09 ] [ 8.61560544340151e-10 1.219908173878141e-09 6.886267268561857e-10 ] [ 7.44361164310969e-10 2.472795391101168e-09 -2.317445622248145e-09 ] [ -1.318798199920145e-09 -2.048283154306986e-09 1.709064231880051e-09 ] [ 1.700780337879867e-09 1.162240229677377e-09 1.109356705301645e-09 ] [ -2.725390551694944e-10 -3.849979791001182e-09 -4.998012399058291e-10 ] [ -1.86898292780261e-09 1.300057539986648e-09 1.105084981995268e-09 ] [ -3.019626603098636e-09 -4.615442102061073e-09 4.161758074226014e-09 ] ] "source-value" [ [ 1.9805835 2.7204888 -3.7178447 ] [ 0.5377438 0.7614068 0.429807 ] [ 0.4645937 1.5433975 -1.4464358 ] [ -0.8231291 -1.2784378 1.066714 ] [ 1.0615436 0.7254133 0.692406 ] [ -0.1701055 -2.4029684 -0.3119514 ] [ -1.1665274 0.8114321 0.6897398 ] [ -1.8847027 -2.8807324 2.5975651 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 2.70324e-13 -2.80673e-13 1.44383e-11 ] [ 1.34461e-10 1.35881e-10 1.37149e-10 ] [ -2.21547e-12 2.59799e-10 2.84643e-10 ] [ 1.34697e-10 4.04373e-10 4.10747e-10 ] [ 2.75027e-10 9.09757e-13 2.6523e-10 ] [ 4.11164e-10 1.31842e-10 4.20835e-10 ] [ 2.66226e-10 2.78619e-10 -1.7694e-12 ] [ 3.99298e-10 4.09333e-10 1.38778e-10 ] ] "source-value" [ [ 0.00270324 -0.00280673 0.144383 ] [ 1.34461 1.35881 1.37149 ] [ -0.0221547 2.59799 2.84643 ] [ 1.34697 4.04373 4.10747 ] [ 2.75027 0.00909757 2.6523 ] [ 4.11164 1.31842 4.20835 ] [ 2.66226 2.78619 -0.017694 ] [ 3.99298 4.09333 1.38778 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.7544560579197e-18 "source-value" -35.91649 } }