{ "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" [ 5.46847 0 0 ] "si-unit" "m" "si-value" [ 5.46847e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0752926 5.44594 0 ] "si-unit" "m" "si-value" [ 7.52926e-12 5.44594e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.00412544 0.201844 5.40303 ] "si-unit" "m" "si-value" [ 4.12544e-13 2.01844e-11 5.40303e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.00347607 -0.00350605 -0.096896 ] [ 1.33363 1.43287 1.45525 ] [ -0.0378093 2.6958 2.61111 ] [ 1.37012 4.12622 4.01894 ] [ 2.67267 0.0858706 2.76525 ] [ 3.9434 1.3374 3.96298 ] [ 2.74102 2.68949 -0.0467586 ] [ 4.13757 3.9786 1.32692 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.47607e-13 -3.50605e-13 -9.6896e-12 ] [ 1.33363e-10 1.43287e-10 1.45525e-10 ] [ -3.78093e-12 2.6958e-10 2.61111e-10 ] [ 1.37012e-10 4.12622e-10 4.01894e-10 ] [ 2.67267e-10 8.58706e-12 2.76525e-10 ] [ 3.9434e-10 1.3374e-10 3.96298e-10 ] [ 2.74102e-10 2.68949e-10 -4.67586e-12 ] [ 4.137570000000001e-10 3.9786e-10 1.32692e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.21183979999999997 -0.6574124999999998 1.2720776999999999 ] [ 0.49448809999999993 -1.3967657999999998 -2.5238336999999995 ] [ -0.14939789999999997 0.5702500999999999 2.3771195999999994 ] [ -0.8128458999999999 0.29926469999999994 -0.39854169999999994 ] [ -0.37389329999999993 -2.1177517999999997 -1.9260389999999998 ] [ 1.8216464999999997 2.2156722999999996 1.4082654999999997 ] [ 0.05051649999999999 -1.0517166999999998 0.5159772999999999 ] [ -0.8186741999999999 2.1384594999999997 -0.7250255999999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.394047749149478e-10 -1.05329093772168e-09 2.038093150781036e-09 ] [ 7.922572730838124e-10 -2.237865509493008e-09 -4.04362734892716e-09 ] [ -2.393618225766163e-10 9.136413782288619e-10 3.808565447965447e-09 ] [ -1.302322697293135e-09 4.794749057707257e-10 -6.385341941538873e-10 ] [ -5.990431039337606e-10 -3.393012422617117e-09 -3.085854656549011e-09 ] [ 2.918599433662147e-09 3.549898358414163e-09 2.256290059979222e-09 ] [ 8.093635526464319e-11 -1.685035908444927e-09 8.266867669235076e-10 ] [ -1.311660663292143e-09 3.426189815427658e-09 -1.161619065801492e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.009721 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.76939331077308e-18 } }