{ "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" [ [ -0.3176667 0.4971606 -0.1000697 ] [ -0.8699541 0.6371623 -2.8799735 ] [ -1.2279053 1.1448369 -0.431922 ] [ 2.4978499 0.1001606 0.4627942 ] [ 0.4440635 -3.360888 2.966801 ] [ -1.1346258 0.5482018 2.4054655 ] [ 0.4272952 0.2438631 -2.3950257 ] [ 0.1809434 0.1895026 -0.0280697 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.089581641398877e-10 7.965390966654202e-10 -1.603293351113898e-10 ] [ -1.393820131672499e-09 1.020846549125698e-09 -4.614226248239198e-09 ] [ -1.96732118042476e-09 1.834230930920994e-09 -6.920153361105478e-10 ] [ 4.001996745019236e-09 1.604749729674204e-10 7.414780535907227e-10 ] [ 7.114681637122589e-10 -5.384736223090992e-09 4.753339239927833e-09 ] [ -1.817870945093557e-09 8.78316114676741e-10 3.853980617993127e-09 ] [ 6.846023852603567e-10 3.907117607148054e-10 -3.837254214369494e-09 ] [ 2.899032875565156e-10 3.036166378022484e-10 -4.49726174633898e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -325.1789 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.209940354498226e-17 } }