{ "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" [ [ 3.806709166132589e-10 -4.496500675392096e-10 4.403780951952118e-09 ] [ -1.145440446502316e-09 2.651986028724681e-09 -3.833160140836024e-09 ] [ -1.322778006646213e-09 -4.139266558605561e-10 -1.102311293829339e-09 ] [ 1.95089885385321e-09 -3.156675669718234e-10 1.174626657132781e-09 ] [ 3.018202268082745e-09 -2.343029659182066e-09 8.491571338125657e-10 ] [ -1.480726826413498e-09 2.554891081368622e-09 -1.422365620388913e-09 ] [ -3.57068627963372e-09 -4.387082746774815e-09 -2.571321562832588e-09 ] [ 2.16985936042887e-09 2.702479426017504e-09 2.501593714771737e-09 ] ] "source-value" [ [ 0.2375961 -0.2806495 2.7486239 ] [ -0.7149277 1.6552395 -2.3924704 ] [ -0.8256131 -0.2583527 -0.6880086 ] [ 1.2176553 -0.1970242 0.7331443 ] [ 1.8838137 -1.4624041 0.5300022 ] [ -0.924197 1.5946376 -0.8877708 ] [ -2.2286471 -2.7382017 -1.6048927 ] [ 1.3543197 1.686755 1.561372 ] ] } "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" -5.809381075745655e-18 "source-value" -36.259305 } }