{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.48581e-10 0.0 0.0 ] "source-value" [ 5.48581 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 2.28581e-13 5.44331e-10 0.0 ] "source-value" [ 0.00228581 5.44331 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -2.06328e-12 -9.57916e-12 5.427310000000001e-10 ] "source-value" [ -0.0206328 -0.0957916 5.42731 ] } "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" [ [ 7.286176961820019e-10 9.87731793010489e-10 -5.290199747216966e-10 ] [ -6.015388144559808e-10 1.644970598123906e-09 -1.597308246920037e-09 ] [ 2.093198894129817e-10 -2.130960594905452e-10 1.298061548352455e-09 ] [ 1.266709675583654e-10 -7.826632792608001e-10 -7.20316658891975e-10 ] [ 9.858040541003423e-10 6.96321820948226e-10 4.184620013081195e-09 ] [ -2.03065792973689e-09 6.505441101034042e-10 -1.075648831811958e-09 ] [ -7.737079130388384e-10 -1.218397641760051e-09 -1.550506745214524e-09 ] [ 1.355492049978017e-09 -1.765411501892291e-09 -9.881264091121919e-12 ] ] "source-value" [ [ 0.4547674 0.6164937 -0.3301883 ] [ -0.375451 1.0267099 -0.9969614 ] [ 0.1306472 -0.1330041 0.8101863 ] [ 0.0790618 -0.4885 -0.4495863 ] [ 0.6152905 0.4346099 2.6118344 ] [ -1.267437 0.4060377 -0.6713672 ] [ -0.4829105 -0.760464 -0.9677502 ] [ 0.8460316 -1.1018832 -0.0061674 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.816300556135566e-18 "source-value" -36.302493 } }