{ "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" [ 5.35419 0 0 ] "si-unit" "m" "si-value" [ 5.35419e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.128546 5.3923 0 ] "si-unit" "m" "si-value" [ 1.28546e-11 5.3923e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0752915 -0.0875116 5.49588 ] "si-unit" "m" "si-value" [ 7.52915e-12 -8.75116e-12 5.495879999999999e-10 ] } "unrelaxed-configuration-positions" { "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 ] ] "source-unit" "angstrom" "si-unit" "m" "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 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.6727410999999998 0.8184965999999998 1.7731238999999994 ] [ -1.5809072999999996 0.021579199999999993 0.6830934999999998 ] [ 0.04679329999999999 -1.4606681999999995 -0.6453595999999998 ] [ 3.1218060999999993 -1.0314237999999996 0.5461428999999998 ] [ 0.10951389999999996 0.04938349999999998 0.08860149999999997 ] [ -0.2718831999999999 -1.1087869999999995 -1.1688971999999995 ] [ -2.393012299999999 1.7285430999999993 -0.5644621999999998 ] [ 1.6404305999999995 0.9828765999999997 -0.7122427999999997 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.077850062271275e-09 1.311376116724289e-09 2.840857658361717e-09 ] [ -2.532892715712051e-09 3.457368973556735e-11 1.094436435520445e-09 ] [ 7.497113127008062e-11 -2.340248440786018e-09 -1.033980063128839e-09 ] [ 5.001684748090825e-09 -1.652523098496694e-09 8.75017385995912e-10 ] [ 1.754606102326291e-10 7.912108915327677e-11 1.419552518678112e-10 ] [ -4.356049066282904e-10 -1.776472608846969e-09 -1.872779765958581e-09 ] [ -3.834028360346835e-09 2.769431342865156e-09 -9.043681401653334e-10 ] [ 2.628259555364916e-09 1.574741909651393e-09 -1.14113876249313e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -219.26117 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.512951204232543e-17 } }