{ "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" [ [ 3.207125007153984e-10 -6.425867396985389e-10 4.495853556254956e-09 ] [ -1.462699135076256e-09 2.827106977513701e-09 -3.7887425177246e-09 ] [ -1.159613781542899e-09 -3.614878957147584e-10 -1.159485927848559e-09 ] [ 1.976478564910255e-09 -6.346365790884671e-11 1.320074493816274e-09 ] [ 3.154623441684651e-09 -2.532025137071889e-09 1.262434267271049e-09 ] [ -1.40661942855969e-09 2.639501708277746e-09 -1.682304517741788e-09 ] [ -3.821274874227606e-09 -4.651366106252651e-09 -3.160350101580376e-09 ] [ 2.398392872313809e-09 2.784320850855237e-09 2.712520587335382e-09 ] ] "source-value" [ [ 0.200173 -0.4010711 2.8060911 ] [ -0.912945 1.7645414 -2.3647471 ] [ -0.723774 -0.225623 -0.7236942 ] [ 1.2336209 -0.0396109 0.8239257 ] [ 1.9689611 -1.5803658 0.7879495 ] [ -0.8779428 1.6474474 -1.0500119 ] [ -2.3850522 -2.9031544 -1.9725354 ] [ 1.4969591 1.7378364 1.6930222 ] ] } "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" -5.786213281373562e-18 "source-value" -36.114703 } }