{ "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" [ [ -5.350580977525056e-11 -4.117688443876627e-10 3.286801570941693e-09 ] [ -6.721300754977805e-10 1.916196188899668e-09 -2.552185645926739e-09 ] [ -7.98490701444697e-10 -1.285781986077658e-10 -7.789526382070272e-10 ] [ 1.34041717015291e-09 4.321599064582464e-11 9.364115123636717e-10 ] [ 2.031853634148993e-09 -1.615217537405002e-09 5.844783571447162e-10 ] [ -6.209970892979347e-10 1.872449717574697e-09 -1.148498200583113e-09 ] [ -2.432422302651291e-09 -3.210991860428285e-09 -1.844346898775217e-09 ] [ 1.205275174365051e-09 1.534695024361511e-09 1.516291782824354e-09 ] ] "source-value" [ [ -0.0333957 -0.2570059 2.0514602 ] [ -0.4195106 1.1959956 -1.592949 ] [ -0.4983787 -0.0802522 -0.486184 ] [ 0.8366226 0.0269733 0.5844621 ] [ 1.2681833 -1.0081395 0.3648027 ] [ -0.3875959 1.1686912 -0.7168362 ] [ -1.5181986 -2.0041435 -1.1511508 ] [ 0.7522736 0.9578813 0.9463949 ] ] } "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" -4.391023620608998e-18 "source-value" -27.406614 } }