{ "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" [ [ -2.014520326159205e-09 3.240932536029485e-10 1.987504103543952e-09 ] [ -1.250330463771554e-09 3.022067198745101e-10 1.866187289816976e-09 ] [ 2.84634687568224e-10 -2.430122698547457e-09 -3.578083208656629e-09 ] [ 5.112335872053137e-09 -2.408553075354612e-09 3.249286765583322e-09 ] [ -1.219195045064223e-09 3.442311717674458e-10 -1.088334545860128e-10 ] [ 1.824077602127814e-09 -1.277098669445908e-09 -2.349664112351136e-10 ] [ -4.616006869319905e-09 3.048689606346962e-09 -3.577492165701216e-09 ] [ 1.879004542565714e-09 2.096553851973773e-09 3.963970812347213e-10 ] ] "source-value" [ [ -1.2573646999999994 0.20228309999999994 1.2405024999999996 ] [ -0.7803948999999998 0.18862259999999995 1.1647824999999996 ] [ 0.17765499999999995 -1.5167632999999996 -2.233263899999999 ] [ 3.190869099999999 -1.5033005999999995 2.028045299999999 ] [ -0.7609616999999997 0.2148521999999999 -0.06792849999999998 ] [ 1.1384996999999994 -0.7971022999999998 -0.14665449999999994 ] [ -2.881084899999999 1.9028423999999993 -2.232894999999999 ] [ 1.1727823999999996 1.3085659999999995 0.24741159999999993 ] ] } "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" -5.802720186662341e-18 "source-value" -36.217731 } }