{ "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" [ 5.42446 0 0 ] "si-unit" "m" "si-value" [ 5.42446e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00225581 5.46076 0 ] "si-unit" "m" "si-value" [ -2.25581e-13 5.46076e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0117255 0.0343157 5.56103 ] "si-unit" "m" "si-value" [ -1.17255e-12 3.43157e-12 5.56103e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0182071 0.00139191 0.0164222 ] [ 1.32892 1.32964 1.49498 ] [ -0.00509802 2.67752 2.7579 ] [ 1.15566 4.0451 4.18086 ] [ 2.64397 0.106198 2.73506 ] [ 4.03699 1.34406 4.11378 ] [ 2.695 2.72586 0.109097 ] [ 4.00933 4.13019 1.43696 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.82071e-12 1.39191e-13 1.64222e-12 ] [ 1.32892e-10 1.32964e-10 1.49498e-10 ] [ -5.098020000000001e-13 2.67752e-10 2.7579e-10 ] [ 1.15566e-10 4.0451e-10 4.18086e-10 ] [ 2.64397e-10 1.06198e-11 2.73506e-10 ] [ 4.036990000000001e-10 1.34406e-10 4.11378e-10 ] [ 2.695e-10 2.72586e-10 1.09097e-11 ] [ 4.009330000000001e-10 4.13019e-10 1.43696e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.0133186 0.0545147 0.288903 ] [ -0.6309924 1.0511307 -2.3115403 ] [ -1.3414053 0.5695767 0.1099792 ] [ 5.8545988 4.1185302 -3.1524216 ] [ -2.8382124 -6.0735589 5.1822747 ] [ -0.245818 0.782051 1.3900223 ] [ -0.35413 -0.4729496 -1.4035509 ] [ 0.5692779 -0.029295 -0.1036664 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.623515383717592e-09 8.734217854951978e-11 4.62873636092502e-10 ] [ -1.010961279511581e-09 1.684097046820064e-09 -3.703495857209349e-09 ] [ -2.14916822838376e-09 9.125624800108278e-10 1.762061044660128e-10 ] [ 9.380101398804439e-09 6.598612852863347e-09 -5.050736228036894e-09 ] [ -4.547317589609062e-09 -9.730914154802743e-09 8.302919435309358e-09 ] [ -3.93843855816612e-10 1.252983838796334e-09 2.227061249798938e-09 ] [ -5.6737881139842e-10 -7.577487981796464e-10 -2.24873645660967e-09 ] [ 9.120837496325885e-10 -4.693576449303e-11 -1.660918838108976e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.026623 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.772101357252698e-18 } }