{ "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" [ 5.40534 0 0 ] "si-unit" "m" "si-value" [ 5.40534e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0241155 5.39517 0 ] "si-unit" "m" "si-value" [ 2.41155e-12 5.395170000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0520891 0.00914509 5.32386 ] "si-unit" "m" "si-value" [ -5.20891e-12 9.14509e-13 5.32386e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0541257 0.0304247 -0.104173 ] [ 1.34 1.36746 1.32858 ] [ -0.0983731 2.60813 2.63031 ] [ 1.3236 4.08084 4.09012 ] [ 2.69861 0.0115312 2.71277 ] [ 4.03614 1.39677 4.05029 ] [ 2.56533 2.8449 0.01686 ] [ 4.17154 4.11014 1.29552 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.41257e-12 3.04247e-12 -1.04173e-11 ] [ 1.34e-10 1.36746e-10 1.32858e-10 ] [ -9.837310000000001e-12 2.60813e-10 2.63031e-10 ] [ 1.3236e-10 4.08084e-10 4.09012e-10 ] [ 2.69861e-10 1.15312e-12 2.71277e-10 ] [ 4.03614e-10 1.39677e-10 4.05029e-10 ] [ 2.56533e-10 2.8449e-10 1.686e-12 ] [ 4.17154e-10 4.11014e-10 1.29552e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.5882275 0.1620432 1.6362229 ] [ -0.1732318 -0.7884798 -0.2888136 ] [ 1.2317812 1.1344572 0.400069 ] [ -1.7865379 0.8846778 -3.4990732 ] [ 0.2502399 -0.2159901 -0.3197268 ] [ -2.5227297 1.1837815 -0.3478414 ] [ 3.1165399 -2.0705862 1.9598167 ] [ -1.7042892 -0.2899036 0.4593463 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.544620989976235e-09 2.596218287385888e-10 2.621518098395718e-09 ] [ -2.775479422257612e-10 -1.263283911940993e-09 -4.627304015014224e-10 ] [ 1.97353105684048e-09 1.817600818113064e-09 6.409812037877459e-10 ] [ -2.862349279135428e-09 1.417410099778525e-09 -5.606133321695609e-09 ] [ 4.009285206744966e-10 -3.460542913953234e-10 -5.122588082235911e-10 ] [ -4.04185857923783e-09 1.896627059061471e-09 -5.573033634178476e-10 ] [ 4.993247406708695e-09 -3.317444828322851e-09 3.139972523662987e-09 ] [ -2.730572333818553e-09 -4.644767740324823e-10 7.359539087743542e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.052544 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.776254359305689e-18 } }