{ "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" [ 5.45158 0 0 ] "si-unit" "m" "si-value" [ 5.45158e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0257054 5.42445 0 ] "si-unit" "m" "si-value" [ -2.57054e-12 5.424450000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0529382 0.0294769 5.34001 ] "si-unit" "m" "si-value" [ -5.29382e-12 2.94769e-12 5.34001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0143981 -0.000418648 -0.00412545 ] [ 1.32176 1.3194 1.55836 ] [ -0.0742391 2.6807 2.85755 ] [ 1.24493 4.07168 4.08922 ] [ 2.604 0.0471177 2.81384 ] [ 3.98318 1.33506 4.22092 ] [ 2.76065 2.8474 0.244257 ] [ 4.05568 4.10688 1.45974 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.43981e-12 -4.18648e-14 -4.12545e-13 ] [ 1.32176e-10 1.3194e-10 1.55836e-10 ] [ -7.42391e-12 2.6807e-10 2.85755e-10 ] [ 1.24493e-10 4.07168e-10 4.08922e-10 ] [ 2.604e-10 4.71177e-12 2.81384e-10 ] [ 3.98318e-10 1.33506e-10 4.22092e-10 ] [ 2.76065e-10 2.8474e-10 2.44257e-11 ] [ 4.05568e-10 4.10688e-10 1.45974e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.1556691 -0.2662386 2.3915782 ] [ -0.7547015 1.4188185 -1.9919525 ] [ -0.655539 -0.1254586 -0.6151884 ] [ 1.0419556 -0.1472945 0.6900458 ] [ 1.7028002 -1.2263877 0.595145 ] [ -0.7312046 1.3700268 -0.8771941 ] [ -1.9117769 -2.3644448 -1.6016179 ] [ 1.1527972 1.3409788 1.4091838 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.494093926009773e-10 -4.265612604745229e-10 3.831730678854947e-09 ] [ -1.209165098982691e-09 2.273197829858525e-09 -3.191459725244112e-09 ] [ -1.050289259822611e-09 -2.010068357982989e-10 -9.856404718673587e-10 ] [ 1.669396902231637e-09 -2.359918042724256e-10 1.105575248041233e-09 ] [ 2.728186670333564e-09 -1.964889700976684e-09 9.53527404986016e-10 ] [ -1.171518915141416e-09 2.195024908829438e-09 -1.405419878923697e-09 ] [ -3.0630042533655e-09 -3.788258179732132e-09 -2.566074754834792e-09 ] [ 1.846984722363702e-09 2.148484882348439e-09 2.257761338770103e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.268234 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.810811659250367e-18 } }