{ "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" [ 5.45158 0 0 ] "si-unit" "m" "si-value" [ 5.45158e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0257054 5.42445 0 ] "si-unit" "m" "si-value" [ -2.57054e-12 5.424450000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0529382 0.0294769 5.34001 ] "si-unit" "m" "si-value" [ -5.29382e-12 2.94769e-12 5.34001e-10 ] } "unrelaxed-configuration-positions" { "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 ] ] "source-unit" "angstrom" "si-unit" "m" "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 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.0705748 -0.4400713 2.8072138 ] [ -0.7992999 1.8793142 -2.3675158 ] [ -0.8286865 -0.2906862 -0.6888057 ] [ 1.2797699 -0.0631847 0.7757358 ] [ 1.9415462 -1.5740072 0.6765587 ] [ -0.7349185 1.8034776 -0.944362 ] [ -2.3244871 -2.9536546 -1.7837227 ] [ 1.3955011 1.6388123 1.5248978 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.130732945776358e-10 -7.050719483450631e-10 4.497652319947127e-09 ] [ -1.280619612787778e-09 3.010993274377456e-09 -3.793178464134609e-09 ] [ -1.327702136272579e-09 -4.657306336291929e-10 -1.103588388813778e-09 ] [ 2.050417413783554e-09 -1.012330491322618e-10 1.242865762677584e-09 ] [ 3.110699929843081e-09 -2.52183753681087e-09 1.083966531738841e-09 ] [ -1.177469238893405e-09 2.889489646856494e-09 -1.51303471797193e-09 ] [ -3.724238886971191e-09 -4.732276346038377e-09 -2.857838807930252e-09 ] [ 2.235839236720683e-09 2.625666752939476e-09 2.443155604269355e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.118633 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.786842936785537e-18 } }