{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.23298e-10 0.0 0.0 ] "source-value" [ 5.23298 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -9.24429e-11 5.53043e-10 0.0 ] "source-value" [ -0.924429 5.53043 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -6.29107e-11 -4.73789e-11 5.46851e-10 ] "source-value" [ -0.629107 -0.473789 5.46851 ] } "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" [ [ 1.2171489053018e-09 9.491428884455346e-10 3.49827254268576e-10 ] [ -1.975808262277411e-08 -1.595764469637065e-08 1.03174212680314e-08 ] [ -7.555270536166484e-10 -3.339131543294938e-09 -6.173374295042358e-09 ] [ 4.190904871311608e-09 4.70546263854799e-09 6.074263969714994e-09 ] [ 3.729889283259767e-09 -5.043004562705934e-09 4.961752097994008e-09 ] [ -1.753723142790568e-09 -2.596535496967104e-09 2.274228189643361e-09 ] [ 9.487992696256718e-09 1.430858037676294e-08 -2.183154959029514e-08 ] [ 3.641397063051431e-09 6.973130395582164e-09 4.027430945467494e-09 ] ] "source-value" [ [ 0.7596846 0.5924084 0.218345 ] [ -12.3320253 -9.9599785 6.4396279 ] [ -0.4715629 -2.084122 -3.8531172 ] [ 2.6157571 2.9369188 3.7912574 ] [ 2.3280138 -3.1475959 3.0968821 ] [ -1.0945879 -1.62063 1.4194616 ] [ 5.9219393 8.9307135 -13.6261816 ] [ 2.2727813 4.3522857 2.5137247 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 2.04863e-11 6.04192e-12 -5.94365e-12 ] [ 1.57212e-10 1.62558e-10 1.26329e-10 ] [ -4.56749e-11 2.61396e-10 2.82457e-10 ] [ 5.63094e-11 3.85296e-10 4.15247e-10 ] [ 2.57153e-10 7.262540000000001e-12 2.31215e-10 ] [ 3.48703e-10 1.34311e-10 4.102140000000001e-10 ] [ 2.49706e-10 2.93083e-10 3.28276e-11 ] [ 3.43659e-10 4.115e-10 1.72734e-10 ] ] "source-value" [ [ 0.204863 0.0604192 -0.0594365 ] [ 1.57212 1.62558 1.26329 ] [ -0.456749 2.61396 2.82457 ] [ 0.563094 3.85296 4.15247 ] [ 2.57153 0.0726254 2.31215 ] [ 3.48703 1.34311 4.10214 ] [ 2.49706 2.93083 0.328276 ] [ 3.43659 4.115 1.72734 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -3.9914563124947e-18 "source-value" -24.912711 } }