{ "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" [ 5.45864 0 0 ] "si-unit" "m" "si-value" [ 5.45864e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.103818 5.38839 0 ] "si-unit" "m" "si-value" [ 1.03818e-11 5.388390000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.113176 0.0705962 5.39093 ] "si-unit" "m" "si-value" [ 1.13176e-11 7.05962e-12 5.39093e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.000432489 -6.72518e-05 0.0122781 ] [ 1.51992 1.38746 1.2495 ] [ 0.155886 2.80678 2.64329 ] [ 1.56947 4.13166 3.92938 ] [ 2.77407 -0.0290867 2.65575 ] [ 4.2526 1.27774 3.82666 ] [ 2.78396 2.65139 -0.0871139 ] [ 4.18696 3.99308 1.34271 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.32489e-14 -6.72518e-15 1.22781e-12 ] [ 1.51992e-10 1.38746e-10 1.2495e-10 ] [ 1.55886e-11 2.80678e-10 2.64329e-10 ] [ 1.56947e-10 4.13166e-10 3.92938e-10 ] [ 2.77407e-10 -2.90867e-12 2.65575e-10 ] [ 4.2526e-10 1.27774e-10 3.82666e-10 ] [ 2.78396e-10 2.65139e-10 -8.71139e-12 ] [ 4.18696e-10 3.99308e-10 1.34271e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.29290410000000006 -0.07955310000000002 0.5531313000000001 ] [ 1.6060092000000004 0.31061510000000003 -0.9485486000000002 ] [ -0.9289597000000003 1.2417260000000003 0.2623751000000001 ] [ 0.8634361000000003 0.8204329000000002 -1.5205787000000004 ] [ -0.7213201000000001 -0.5853212000000001 1.2221120000000003 ] [ 0.29528630000000006 -0.9853335000000002 -1.7016244000000005 ] [ -1.2472027000000003 -0.21470300000000006 1.3709969000000002 ] [ 0.4256551000000001 -0.5078631000000001 0.7621365000000002 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.692841050227994e-10 -1.274581179822654e-10 8.862140443940443e-10 ] [ 2.573110414229033e-09 4.976602553875734e-10 -1.519742403133412e-09 ] [ -1.48835752526765e-09 1.989464383030284e-09 4.203712545634135e-10 ] [ 1.383377144372088e-09 1.314478422144859e-09 -2.436235663298096e-09 ] [ -1.155682209854543e-09 -9.37787950024841e-10 1.958039290531008e-09 ] [ 4.731008102003142e-10 -1.578678310397439e-09 -2.72630285352427e-09 ] [ -1.998239023801712e-09 -3.439921298497021e-10 2.196579198466435e-09 ] [ 6.819746553629336e-10 -8.136863920908055e-10 1.221077292218541e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -0.7741246015624768 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.24028434842796e-19 } }