{ "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" [ [ 0.1808062 -0.1973121 1.906944 ] [ -0.637648 1.2576529 -1.7533459 ] [ -0.557768 -0.1301896 -0.5010584 ] [ 0.8608229 -0.2331727 0.5580143 ] [ 1.4498222 -1.0420906 0.4737859 ] [ -0.6694518 1.1688929 -0.5833763 ] [ -1.651068 -2.0057419 -1.2874582 ] [ 1.0244845 1.1819609 1.1864946 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.89683466535689e-10 -3.161288336209517e-10 3.055261093974835e-09 ] [ -1.021624717899878e-09 2.01498207346132e-09 -2.809169809155535e-09 ] [ -8.936428494303745e-10 -2.085867333913037e-10 -8.027840541354548e-10 ] [ 1.379190325029256e-09 -3.735838485488122e-10 8.940374655320774e-10 ] [ 2.322871233156822e-09 -1.669613196075445e-09 7.590886922446867e-10 ] [ -1.072580022712478e-09 1.872772876599112e-09 -9.34671868988807e-10 ] [ -2.645302548951015e-09 -3.213552779538971e-09 -2.062735428297251e-09 ] [ 1.641405114271978e-09 1.893710120679727e-09 1.900973908825448e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.406285 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.832929867718173e-18 } }