{ "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" [ [ -4.644553010390361e-10 6.727596508009238e-09 2.241400231553818e-10 ] [ 1.434758136115477e-09 -5.381107889551807e-09 -8.538498770913565e-09 ] [ -1.776201840998054e-09 3.648277770767119e-09 8.638336484426772e-09 ] [ 2.15792394569222e-09 -6.821417087005369e-09 1.255239052284699e-09 ] [ -1.144715461581404e-09 1.521004425136775e-09 5.738095751791724e-09 ] [ -3.259929544222311e-10 -1.671178682851628e-09 5.245128275826593e-09 ] [ 5.086128908849049e-10 3.601010996970925e-09 -5.978178233412376e-09 ] [ -3.899292544342137e-10 -1.624185881257592e-09 -6.584262583159229e-09 ] ] "source-value" [ [ -0.28989020000000004 4.199035500000001 0.13989720000000003 ] [ 0.8955056000000002 -3.358623400000001 -5.329311800000001 ] [ -1.1086180000000003 2.2770759000000003 5.391625600000001 ] [ 1.3468702000000001 -4.257593700000001 0.7834586000000002 ] [ -0.7144752000000001 0.9493363000000002 3.581437700000001 ] [ -0.20346880000000006 -1.0430677000000002 3.273751600000001 ] [ 0.31745120000000004 2.2475743000000006 -3.731285400000001 ] [ -0.24337470000000005 -1.0137371000000002 -4.109573500000001 ] ] } "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" -5.04983111685184e-18 "source-value" -31.518567 } }