{ "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" [ [ -2.430364146564211e-10 3.346323714145708e-10 8.209761287939904e-10 ] [ -6.333069327108652e-10 -2.10750312700032e-11 2.44888691047728e-10 ] [ 5.084283201381888e-11 -6.366553216306753e-10 -3.7349124274013e-10 ] [ 1.268673463467769e-09 -3.816322225857389e-10 2.148208026228365e-10 ] [ 1.76447711248704e-11 4.153995368280576e-11 6.734605229636928e-11 ] [ -6.914241272361025e-11 -4.728361267247789e-10 -5.171387135548301e-10 ] [ -9.883535977570215e-10 6.750888150634119e-10 -2.169090796303872e-10 ] [ 5.966782912414598e-10 4.609375620504078e-10 -2.404927990532391e-10 ] ] "source-value" [ [ -0.15169139999999995 0.2088610999999999 0.5124129999999998 ] [ -0.3952790999999999 -0.013153999999999996 0.15284749999999994 ] [ 0.03173359999999999 -0.3973689999999999 -0.23311489999999993 ] [ 0.7918436999999998 -0.2381960999999999 0.13408059999999994 ] [ 0.011012999999999997 0.025927199999999994 0.042034099999999984 ] [ -0.04315529999999999 -0.2951210999999999 -0.3227725999999999 ] [ -0.6168817999999998 0.4213572999999998 -0.13538399999999995 ] [ 0.3724172999999999 0.2876945999999999 -0.15010379999999995 ] ] } "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" 2.451551009762346e-17 "source-value" 153.01378 } }