{ "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" [ [ 0.1589588 -0.1571212 1.8095591 ] [ -0.5847606 1.1513923 -1.6652778 ] [ -0.5161087 -0.1420982 -0.4439017 ] [ 0.830463 -0.2418044 0.5419603 ] [ 1.3319915 -0.9053439 0.450887 ] [ -0.6194275 1.1141248 -0.5282683 ] [ -1.5314328 -1.8834675 -1.2315682 ] [ 0.9303163 1.064318 1.0666096 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.546800730304231e-10 -2.51735913272041e-10 2.899233283975889e-09 ] [ -9.368897620849805e-10 1.84473382442914e-09 -2.668069158297258e-09 ] [ -8.26897292931481e-10 -2.276664138977626e-10 -7.112089256733754e-10 ] [ 1.33054840303943e-09 -3.874133564865715e-10 8.683161220617542e-10 ] [ 2.134085640404323e-09 -1.450520830363893e-09 7.224006100226496e-10 ] [ -9.92432258780592e-10 1.785024707213476e-09 -8.463791197697607e-10 ] [ -2.453625828486282e-09 -3.017647594536624e-09 -1.973189776960738e-09 ] [ 1.490531025809159e-09 1.705225416696615e-09 1.70889696464084e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.389380240654233 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.786085847177769e-18 } }