{ "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" [ 5.42631 0 0 ] "si-unit" "m" "si-value" [ 5.42631e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0419811 5.40206 0 ] "si-unit" "m" "si-value" [ -4.19811e-12 5.40206e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.291495 -0.184222 5.7849 ] "si-unit" "m" "si-value" [ -2.91495e-11 -1.84222e-11 5.7849e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.101951 0.0451697 -0.178669 ] [ 1.35762 1.34832 0.905447 ] [ 0.453616 2.71025 3.0057 ] [ 1.36179 4.05856 4.06079 ] [ 2.63302 -0.145655 3.08939 ] [ 4.07266 1.35506 3.53695 ] [ 2.85903 2.69843 0.171649 ] [ 4.20927 3.69056 1.74197 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.01951e-11 4.51697e-12 -1.78669e-11 ] [ 1.35762e-10 1.34832e-10 9.05447e-11 ] [ 4.53616e-11 2.71025e-10 3.0057e-10 ] [ 1.36179e-10 4.05856e-10 4.06079e-10 ] [ 2.63302e-10 -1.45655e-11 3.08939e-10 ] [ 4.07266e-10 1.35506e-10 3.53695e-10 ] [ 2.85903e-10 2.69843e-10 1.71649e-11 ] [ 4.20927e-10 3.69056e-10 1.74197e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -9.1247676 -11.2202607 -11.9093476 ] [ 2.1156529 2.9879303 19.4883492 ] [ -10.5502246 -24.841189 -25.922072 ] [ -3.1539665 6.2775694 43.7244592 ] [ 7.6877168 4.1020419 -28.4564941 ] [ 7.333826 9.3128696 13.6708783 ] [ 5.9275404 6.4732524 -12.354497 ] [ -0.2357775 6.9077861 1.758724 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.461948943940026e-08 -1.797683952092848e-08 -1.908087845090398e-08 ] [ 3.389649642034338e-09 4.787192110680609e-09 3.122377772347259e-08 ] [ -1.690332333757199e-08 -3.979997257657782e-08 -4.153173806326564e-08 ] [ -5.053211430718761e-09 1.00577750109934e-08 7.005430686452633e-08 ] [ 1.231708022576925e-08 6.572195683868964e-09 -4.559232993257886e-08 ] [ 1.175008465502168e-08 1.492086206860893e-08 2.190316177851764e-08 ] [ 9.496966725971013e-09 1.037129374126442e-08 -1.97940864182231e-08 ] [ -3.77757201322935e-10 1.106749348208999e-08 2.817786498455016e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.873014 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.902266560595487e-18 } }