{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.35419e-10 0.0 0.0 ] "source-value" [ 5.35419 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.28546e-11 5.3923e-10 0.0 ] "source-value" [ 0.128546 5.3923 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 7.52915e-12 -8.75116e-12 5.495879999999999e-10 ] "source-value" [ 0.0752915 -0.0875116 5.49588 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -1.560511697340772e-09 7.663646569327258e-10 1.873364400207512e-09 ] [ -8.439450930474412e-10 -5.29311090213696e-11 1.094424899848775e-09 ] [ -3.98218916270233e-10 -1.929244155081801e-09 -2.667917111735944e-09 ] [ 3.612594413503985e-09 -8.338275079047513e-10 1.303634719727908e-09 ] [ -6.672911816676403e-10 2.560430446817376e-10 6.69221163625056e-11 ] [ 1.346659090049885e-09 -1.299041760009061e-09 -7.699732393357536e-10 ] [ -2.83533575663813e-09 1.42540414835026e-09 -1.604014798037044e-09 ] [ 1.346049301628008e-09 1.66723268205226e-09 7.035591731797037e-10 ] ] "source-value" [ [ -0.9739947999999997 0.47832719999999984 1.1692620999999996 ] [ -0.5267490999999997 -0.03303699999999998 0.6830862999999998 ] [ -0.24854869999999993 -1.2041394999999995 -1.6651828999999996 ] [ 2.254804099999999 -0.5204341999999997 0.8136647999999997 ] [ -0.41649039999999987 0.15980949999999994 0.04176949999999999 ] [ 0.8405184999999996 -0.8107980999999997 -0.4805794999999998 ] [ -1.7696773999999993 0.8896672999999997 -1.0011472999999995 ] [ 0.8401378999999997 1.0406047999999997 0.4391270999999998 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 2.25511e-13 1.60353e-12 -6.7451e-12 ] [ 1.37153e-10 1.32836e-10 1.3623e-10 ] [ 3.05896e-12 2.71279e-10 2.89841e-10 ] [ 1.38735e-10 4.027860000000001e-10 4.05412e-10 ] [ 2.7178e-10 -6.21827e-12 2.7228e-10 ] [ 3.99586e-10 1.31169e-10 4.14487e-10 ] [ 2.78113e-10 2.65016e-10 1.1239e-11 ] [ 4.13075e-10 3.95144e-10 1.3393e-10 ] ] "source-value" [ [ 0.00225511 0.0160353 -0.067451 ] [ 1.37153 1.32836 1.3623 ] [ 0.0305896 2.71279 2.89841 ] [ 1.38735 4.02786 4.05412 ] [ 2.7178 -0.0621827 2.7228 ] [ 3.99586 1.31169 4.14487 ] [ 2.78113 2.65016 0.11239 ] [ 4.13075 3.95144 1.3393 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.82871774538209e-18 "source-value" -36.379995 } }