{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.49393e-10 0.0 0.0 ] "source-value" [ 5.49393 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 2.595e-13 5.45604e-10 0.0 ] "source-value" [ 0.002595 5.45604 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -6.981170000000001e-12 7.48179e-12 5.57684e-10 ] "source-value" [ -0.0698117 0.0748179 5.57684 ] } "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" [ [ 1.146272136386174e-09 -7.021072807259348e-10 -2.612702901029935e-09 ] [ -3.54949060446417e-09 -3.843030510126125e-10 3.148225790220134e-09 ] [ 1.24809943282709e-09 6.578671787840947e-10 -3.129512687724515e-09 ] [ -2.72427944220842e-09 3.480827242550179e-09 -1.390622816524637e-09 ] [ 1.245448791825638e-10 -1.205719938594985e-09 2.520777536758548e-09 ] [ -1.557835902166374e-09 -4.111621001013658e-10 3.159550935881921e-09 ] [ 5.171087047867225e-09 -2.147459809746451e-10 -2.488352686306798e-09 ] [ 1.41602452575911e-10 -1.220656230142393e-09 7.926369889429421e-10 ] ] "source-value" [ [ 0.7154468 -0.4382209 -1.6307209 ] [ -2.2154178 -0.2398631 1.964968 ] [ 0.7790024 0.4106084 -1.9532882 ] [ -1.7003615 2.1725615 -0.8679585 ] [ 0.0777348 -0.7525512 1.5733456 ] [ -0.9723247 -0.2566272 1.9720366 ] [ 3.2275387 -0.1340339 -1.5531076 ] [ 0.0883813 -0.7618737 0.4947251 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -5.683470000000001e-12 2.59582e-14 3.66732e-12 ] [ 1.4042e-10 1.34788e-10 1.25876e-10 ] [ -1.16956e-12 2.70772e-10 2.89683e-10 ] [ 1.4664e-10 4.01047e-10 4.21293e-10 ] [ 2.72042e-10 4.65962e-12 2.583750000000001e-10 ] [ 4.04434e-10 1.40284e-10 4.02526e-10 ] [ 2.59741e-10 2.72967e-10 1.38309e-11 ] [ 4.11134e-10 4.10597e-10 1.37335e-10 ] ] "source-value" [ [ -0.0568347 0.000259582 0.0366732 ] [ 1.4042 1.34788 1.25876 ] [ -0.0116956 2.70772 2.89683 ] [ 1.4664 4.01047 4.21293 ] [ 2.72042 0.0465962 2.58375 ] [ 4.04434 1.40284 4.02526 ] [ 2.59741 2.72967 0.138309 ] [ 4.11134 4.10597 1.37335 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -3.947865412519607e-18 "source-value" -24.640638 } }