{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.45158e-10 0.0 0.0 ] "source-value" [ 5.45158 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -2.57054e-12 5.424450000000001e-10 0.0 ] "source-value" [ -0.0257054 5.42445 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -5.29382e-12 2.94769e-12 5.34001e-10 ] "source-value" [ -0.0529382 0.0294769 5.34001 ] } "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" [ [ 2.138856121292755e-10 -5.378333880950554e-10 4.477630880022962e-09 ] [ -1.115271941385638e-09 2.766845590016847e-09 -3.858818999418137e-09 ] [ -1.338101544282868e-09 -3.548744310594201e-10 -1.119389375083432e-09 ] [ 2.004829080215311e-09 -2.607733109369875e-10 1.249110085839491e-09 ] [ 3.065249543681889e-09 -2.372761891604899e-09 8.559385065777639e-10 ] [ -1.302172252908442e-09 2.703368473824386e-09 -1.409857587727989e-09 ] [ -3.610192750749406e-09 -4.510326177888303e-09 -2.615042719766951e-09 ] [ 2.081774253299879e-09 2.566355135743432e-09 2.42042904933863e-09 ] ] "source-value" [ [ 0.1334969 -0.3356892 2.7947174 ] [ -0.696098 1.7269292 -2.4084854 ] [ -0.8351773 -0.2214952 -0.6986679 ] [ 1.2513159 -0.1627619 0.7796332 ] [ 1.9131783 -1.4809615 0.5342348 ] [ -0.812752 1.6873099 -0.8799639 ] [ -2.2533051 -2.8151242 -1.6321813 ] [ 1.2993413 1.6017929 1.510713 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.43981e-12 -4.18648e-14 -4.12545e-13 ] [ 1.32176e-10 1.3194e-10 1.55836e-10 ] [ -7.42391e-12 2.6807e-10 2.85755e-10 ] [ 1.24493e-10 4.07168e-10 4.08922e-10 ] [ 2.604e-10 4.71177e-12 2.81384e-10 ] [ 3.98318e-10 1.33506e-10 4.22092e-10 ] [ 2.76065e-10 2.8474e-10 2.44257e-11 ] [ 4.05568e-10 4.10688e-10 1.45974e-10 ] ] "source-value" [ [ 0.0143981 -0.000418648 -0.00412545 ] [ 1.32176 1.3194 1.55836 ] [ -0.0742391 2.6807 2.85755 ] [ 1.24493 4.07168 4.08922 ] [ 2.604 0.0471177 2.81384 ] [ 3.98318 1.33506 4.22092 ] [ 2.76065 2.8474 0.244257 ] [ 4.05568 4.10688 1.45974 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.792224487837143e-18 "source-value" -36.152222 } }