{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.44714e-10 0.0 0.0 ] "source-value" [ 5.44714 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.03058e-11 5.37075e-10 0.0 ] "source-value" [ 0.103058 5.37075 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 4.54409e-12 8.808560000000001e-13 5.432070000000001e-10 ] "source-value" [ 0.0454409 0.00880856 5.43207 ] } "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" [ [ -1.08845791345993e-10 5.034098062870908e-09 6.955985984215968e-10 ] [ 6.683355925414412e-09 -8.173046609585963e-09 -9.653687719550246e-09 ] [ -6.076178250341525e-09 7.653610374756905e-09 1.111325908542738e-08 ] [ 1.032993282548089e-09 -5.267134492148605e-09 4.447546168743553e-10 ] [ -1.320672746566481e-09 2.250098929081127e-09 5.276404205423568e-09 ] [ -2.794039013366362e-10 -1.844204945926614e-09 2.241723550795895e-09 ] [ 2.704486953323367e-10 2.624391420349319e-09 -3.569266590930029e-09 ] [ -2.016972137042016e-10 -2.277812739397077e-09 -6.548785746462517e-09 ] ] "source-value" [ [ -0.06793620000000002 3.142036900000001 0.4341585000000001 ] [ 4.171422700000001 -5.101214500000001 -6.0253580000000015 ] [ -3.792452200000001 4.777007900000001 6.936350800000001 ] [ 0.6447437000000001 -3.287486800000001 0.27759400000000006 ] [ -0.8242991000000002 1.4044013000000002 3.293272500000001 ] [ -0.17439020000000002 -1.1510622000000001 1.3991738000000002 ] [ 0.16880080000000003 1.6380163000000005 -2.2277610000000005 ] [ -0.12588950000000002 -1.4216989000000002 -4.087430600000001 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -9.227900000000001e-12 -1.565e-11 1.40236e-11 ] [ 1.30169e-10 1.48453e-10 1.67094e-10 ] [ -6.4284e-12 2.41697e-10 2.49469e-10 ] [ 1.35107e-10 4.20911e-10 4.05148e-10 ] [ 2.6753e-10 4.24873e-12 2.71018e-10 ] [ 4.05146e-10 1.3988e-10 4.09778e-10 ] [ 2.74223e-10 2.69898e-10 4.20733e-11 ] [ 4.21922e-10 4.15138e-10 1.78205e-10 ] ] "source-value" [ [ -0.092279 -0.1565 0.140236 ] [ 1.30169 1.48453 1.67094 ] [ -0.064284 2.41697 2.49469 ] [ 1.35107 4.20911 4.05148 ] [ 2.6753 0.0424873 2.71018 ] [ 4.05146 1.3988 4.09778 ] [ 2.74223 2.69898 0.420733 ] [ 4.21922 4.15138 1.78205 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -3.691975696140481e-18 "source-value" -23.0435 } }