{ "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" [ [ 0.1751239 -0.3082149 2.7568111 ] [ -0.7637946 1.6598023 -2.2466826 ] [ -0.6269742 -0.2534802 -0.690799 ] [ 1.1806828 0.0398441 0.8365947 ] [ 1.8030382 -1.507878 0.6873079 ] [ -0.8318083 1.5547956 -1.0802584 ] [ -2.2642578 -2.7898204 -1.8360396 ] [ 1.32799 1.6049514 1.5730659 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.805794183233171e-10 -4.9381470696221e-10 4.416898292381931e-09 ] [ -1.223733851213288e-09 2.659296440210068e-09 -3.599582336078159e-09 ] [ -1.004523405084783e-09 -4.061200502757081e-10 -1.106782007472019e-09 ] [ 1.891662378740682e-09 6.383728549681729e-11 1.34037246942519e-09 ] [ 2.888785650449314e-09 -2.415886878618663e-09 1.101188648671144e-09 ] [ -1.332703811247393e-09 2.491057160442709e-09 -1.730764752902815e-09 ] [ -3.627740910624043e-09 -4.469785021110905e-09 -2.941659721982984e-09 ] [ 2.127674530656192e-09 2.571415610600229e-09 2.520329407957711e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.126908 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.788168737939249e-18 } }