{ "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" [ [ 0.3980289 0.6121055 -0.3574087 ] [ -0.3982455 1.1532738 -1.1251678 ] [ 0.1341117 -0.1062916 0.7810811 ] [ 0.1656116 -0.4760287 -0.4960395 ] [ 0.644838 0.5312424 3.0805139 ] [ -1.3625431 0.5040775 -0.6814837 ] [ -0.6561826 -1.0527553 -1.2635995 ] [ 1.074381 -1.1656236 0.0621042 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.377126032367226e-10 9.80701129642887e-10 -5.726318679283158e-10 ] [ -6.38059634695647e-10 1.847748334964389e-09 -1.802717558489185e-09 ] [ 2.148706320860178e-10 -1.702979179104744e-10 1.251429887679017e-09 ] [ 2.653390358393544e-10 -7.626820602533957e-10 -7.94742896441043e-10 ] [ 1.033144376315292e-09 8.511441602700814e-10 4.935527391292213e-09 ] [ -2.183034717637925e-09 8.076211922251348e-10 -1.091857260591866e-09 ] [ -1.051320429357368e-09 -1.68669994297966e-09 -2.024509593634083e-09 ] [ 1.721348134213554e-09 -1.867534895958962e-09 9.950189811326278e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -36.417542 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.834733486011362e-18 } }