{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.48581 0 0 ] "si-unit" "m" "si-value" [ 5.48581e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00228581 5.44331 0 ] "si-unit" "m" "si-value" [ 2.28581e-13 5.44331e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0206328 -0.0957916 5.42731 ] "si-unit" "m" "si-value" [ -2.06328e-12 -9.57916e-12 5.427310000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00584564 0.00126862 0.0177865 ] [ 1.36937 1.35462 1.37323 ] [ -0.0302415 2.74811 2.64947 ] [ 1.37836 4.07615 4.08107 ] [ 2.65918 -0.0413914 2.54007 ] [ 4.19104 1.29728 4.08084 ] [ 2.79028 2.80414 0.0605432 ] [ 4.08315 4.18517 1.33386 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.845640000000001e-13 1.26862e-13 1.77865e-12 ] [ 1.36937e-10 1.35462e-10 1.37323e-10 ] [ -3.02415e-12 2.74811e-10 2.64947e-10 ] [ 1.37836e-10 4.07615e-10 4.081070000000001e-10 ] [ 2.65918e-10 -4.13914e-12 2.54007e-10 ] [ 4.19104e-10 1.29728e-10 4.08084e-10 ] [ 2.79028e-10 2.80414e-10 6.05432e-12 ] [ 4.08315e-10 4.18517e-10 1.33386e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.354058 -0.3357274 0.032412 ] [ -0.0899035 -0.8558405 1.2047264 ] [ 0.5039508 -0.2795517 -0.7484978 ] [ -0.238938 0.4361425 0.4947022 ] [ -0.6207661 -0.8108555 -2.6134358 ] [ 0.9684911 -0.132625 1.3046147 ] [ 0.690219 0.6160991 0.2937209 ] [ -0.8589953 1.3623585 0.0317574 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.672634546807719e-10 -5.378945956735715e-10 5.1929749061208e-11 ] [ -1.44041287014819e-10 -1.371207651530877e-09 1.930184488442938e-09 ] [ 8.074181964456071e-10 -4.478912017349778e-10 -1.199225685760405e-09 ] [ -3.82820880574692e-10 6.987773225943449e-10 7.926003056283947e-10 ] [ -9.945769405993074e-10 -1.299133735650387e-09 -4.187185773219096e-09 ] [ 1.551693810656957e-09 -2.124886760842499e-10 2.09022318871292e-09 ] [ 1.105852754142846e-09 9.870995822484293e-10 4.705927628974505e-10 ] [ -1.37626219837582e-09 2.182738955831289e-09 5.088096423659159e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -0.7455056015624777 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.194431655339516e-19 } }