{ "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" [ [ 0.3892797 0.5409586 -0.2001203 ] [ -0.3724262 0.8313781 -0.9860633 ] [ 0.1621307 -0.0346895 0.7444943 ] [ 0.0341233 -0.4452217 -0.4492626 ] [ 0.7031468 0.5683003 2.5260298 ] [ -1.2144626 0.2675525 -0.6656854 ] [ -0.3762033 -0.7494706 -0.8741891 ] [ 0.6744117 -0.9788077 -0.0952033 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.236948342920377e-10 8.667112217406989e-10 -3.206280660074822e-10 ] [ -5.966925506133849e-10 1.332014554865124e-09 -1.579847565888897e-09 ] [ 2.597620170539385e-10 -5.55787058872416e-11 1.192811361778861e-09 ] [ 5.467155348454464e-11 -7.133237988128314e-10 -7.197980343198221e-10 ] [ 1.126565363950333e-09 9.105174542536263e-10 4.047145889004099e-09 ] [ -1.945783584555982e-09 4.28666360336592e-10 -1.066545584687896e-09 ] [ -6.027441319278088e-10 -1.200784273296948e-09 -1.400605338178193e-09 ] [ 1.080526658533983e-09 -1.56822281319902e-09 -1.525325014830087e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -23.407045 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.750222026101354e-18 } }