{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.418520000000001e-10 0.0 0.0 ] "source-value" [ 5.41852 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 3.8783e-12 5.479510000000001e-10 0.0 ] "source-value" [ 0.038783 5.47951 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 3.23821e-13 1.98894e-12 5.39896e-10 ] "source-value" [ 0.00323821 0.0198894 5.39896 ] } "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" [ [ -1.387323133774099e-10 -6.06471916271424e-10 2.954545708108754e-09 ] [ -8.715714245198956e-10 2.031031877760185e-09 -1.276734174264676e-09 ] [ 7.666751587618368e-11 -6.061011726013708e-10 -3.120803255613846e-09 ] [ 2.069845727922699e-09 1.99389726891393e-09 1.263765676042934e-09 ] [ -2.948680139500005e-09 -4.962766115577312e-09 -2.341845650659294e-09 ] [ 2.074746625988064e-10 2.514729480232691e-09 2.714460342570184e-09 ] [ -2.144420480696793e-10 -2.519971001047638e-09 -9.113712541748507e-10 ] [ 1.819438019069301e-09 2.155651418373277e-09 7.179826079907937e-10 ] ] "source-value" [ [ -0.0865899 -0.37853 1.8440824 ] [ -0.5439921 1.2676704 -0.7968748 ] [ 0.0478521 -0.3782986 -1.9478522 ] [ 1.2918961 1.2444928 0.7887805 ] [ -1.8404214 -3.097515 -1.4616651 ] [ 0.1294955 1.5695707 1.6942329 ] [ -0.1338442 -1.5728422 -0.5688332 ] [ 1.1356039 1.3454518 0.4481295 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -1.36142e-12 -2.97439e-12 -1.41562e-11 ] [ 1.34075e-10 1.30471e-10 1.3715e-10 ] [ -2.80615e-12 2.73239e-10 2.73273e-10 ] [ 1.33689e-10 4.08129e-10 3.93514e-10 ] [ 2.80172e-10 1.57681e-11 2.72105e-10 ] [ 4.07194e-10 1.39009e-10 4.01929e-10 ] [ 2.65272e-10 2.79754e-10 1.44035e-12 ] [ 4.02421e-10 4.072440000000001e-10 1.32124e-10 ] ] "source-value" [ [ -0.0136142 -0.0297439 -0.141562 ] [ 1.34075 1.30471 1.3715 ] [ -0.0280615 2.73239 2.73273 ] [ 1.33689 4.08129 3.93514 ] [ 2.80172 0.157681 2.72105 ] [ 4.07194 1.39009 4.01929 ] [ 2.65272 2.79754 0.0144035 ] [ 4.02421 4.07244 1.32124 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.806292239438414e-18 "source-value" -36.240026 } }