{ "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" [ 5.47042 0 0 ] "si-unit" "m" "si-value" [ 5.47042e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0146058 5.3888 0 ] "si-unit" "m" "si-value" [ 1.46058e-12 5.3888e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.134413 -0.103851 5.39218 ] "si-unit" "m" "si-value" [ 1.34413e-11 -1.03851e-11 5.39218e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0813222 0.0658783 -0.0148119 ] [ 1.29496 1.3028 1.25678 ] [ 0.00731236 2.63688 2.91411 ] [ 1.38293 3.97853 4.11798 ] [ 2.91023 -0.000259257 2.64672 ] [ 4.15592 1.24599 4.16086 ] [ 2.63613 2.74458 -0.00927687 ] [ 4.0418 4.10114 1.35651 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -8.13222e-12 6.58783e-12 -1.48119e-12 ] [ 1.29496e-10 1.3028e-10 1.25678e-10 ] [ 7.31236e-13 2.63688e-10 2.91411e-10 ] [ 1.38293e-10 3.97853e-10 4.11798e-10 ] [ 2.91023e-10 -2.59257e-14 2.64672e-10 ] [ 4.15592e-10 1.24599e-10 4.16086e-10 ] [ 2.63613e-10 2.74458e-10 -9.27687e-13 ] [ 4.0418e-10 4.10114e-10 1.35651e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.0294662 -0.1215815 0.1022416 ] [ 0.0661379 0.0793605 0.3482043 ] [ 0.0074437 0.057095 -0.3521868 ] [ 0.2245132 0.1368614 -0.2682042 ] [ -0.3826301 0.1698263 0.1171941 ] [ -0.1778354 0.0338877 -0.0737618 ] [ -0.0064025 0.0849088 0.1272856 ] [ 0.239307 -0.4403582 -0.0007727 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.721005674381697e-11 -1.947950368217952e-10 1.638091011931853e-10 ] [ 1.059645971288083e-10 1.271495377149984e-10 5.578847887220295e-10 ] [ 1.192612211224896e-11 9.1476274164576e-11 -5.642654571143655e-10 ] [ 3.597098001009946e-10 2.192761353699571e-10 -4.297104988403674e-10 ] [ -6.13041000634366e-10 2.720917274569671e-10 1.877656471156973e-10 ] [ -2.849237202306163e-10 5.429408067268416e-11 -1.181794314681255e-10 ] [ -1.0257935814672e-11 1.360388942601831e-10 2.039340124845005e-10 ] [ 3.834120805937856e-10 -7.055316128175705e-10 -1.23800187489216e-12 ] ] } "unrelaxed-potential-energy" { "source-value" 30.981895 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.963846783708042e-18 } }