{ "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" [ [ -1.0835529 -0.1567194 0.1591957 ] [ -0.1283205 0.8002616 -1.8370107 ] [ -1.2894747 0.5264331 0.189835 ] [ 2.6457725 0.7950415 0.0929065 ] [ -0.117759 -2.4246279 1.7464468 ] [ -0.1430163 0.7960025 1.3290973 ] [ -0.5039495 -0.3705622 -1.4411512 ] [ 0.6203005 0.0341708 -0.2393193 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.736043138082938e-09 -2.510921607744996e-10 2.550596307732738e-10 ] [ -2.05592106763197e-10 1.282160436607454e-09 -2.943215619947984e-09 ] [ -2.06596623447416e-09 8.434388121841853e-10 3.0414920131539e-10 ] [ 4.238994878379765e-09 1.273796914360311e-09 1.48852623446721e-10 ] [ -1.88670718243206e-10 -3.884682167524488e-09 2.798116255484071e-09 ] [ -2.291373741411342e-10 1.275336606105585e-09 2.129448638372488e-09 ] [ -8.07416113615983e-10 -5.937060982836347e-10 -2.30897877870106e-09 ] [ 9.93830967158517e-10 5.474765732508719e-11 -3.834317905252362e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -34.856766292303476 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.584669649032744e-18 } }