{ "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" [ 5.46497 0 0 ] "si-unit" "m" "si-value" [ 5.46497e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00264453 5.45437 0 ] "si-unit" "m" "si-value" [ 2.64453e-13 5.45437e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.00434361 0.134648 5.52148 ] "si-unit" "m" "si-value" [ -4.343610000000001e-13 1.34648e-11 5.521480000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.000601708 -0.00129581 -0.00103934 ] [ 1.36071 1.38338 1.29931 ] [ 0.0379757 2.81246 2.65752 ] [ 1.43056 4.2109 3.80234 ] [ 2.71672 0.059655 2.71923 ] [ 4.18219 1.40754 3.91392 ] [ 2.71688 2.7266 0.0375018 ] [ 4.08381 4.07468 1.29537 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.017079999999999e-14 -1.29581e-13 -1.03934e-13 ] [ 1.36071e-10 1.38338e-10 1.29931e-10 ] [ 3.79757e-12 2.812460000000001e-10 2.65752e-10 ] [ 1.43056e-10 4.2109e-10 3.80234e-10 ] [ 2.71672e-10 5.9655e-12 2.71923e-10 ] [ 4.18219e-10 1.40754e-10 3.91392e-10 ] [ 2.71688e-10 2.7266e-10 3.75018e-12 ] [ 4.08381e-10 4.07468e-10 1.29537e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.7119946 -0.7340409 -2.800391 ] [ -0.1941515 0.1255093 1.0649732 ] [ -0.1023052 -0.7963506 -1.9112311 ] [ -1.7696723 -1.2009232 6.5083797 ] [ 1.9905574 0.8228508 -3.8323039 ] [ -1.3601174 0.9915798 3.8489269 ] [ 0.7483588 -0.3912334 -4.0233722 ] [ -0.0246644 1.1826082 1.1450183 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.140741102255848e-09 -1.176063168690991e-09 -4.486720989298732e-09 ] [ -3.110649941932512e-10 2.010880661529734e-10 1.706275162818563e-09 ] [ -1.639109996262682e-10 -1.275894313280053e-09 -3.062129785365867e-09 ] [ -2.835327585537364e-09 -1.924091074416323e-09 1.042757379462932e-08 ] [ 3.189224528640434e-09 1.318352314166577e-09 -6.140027712380661e-09 ] [ -2.179148299823282e-09 1.58868597321754e-09 6.166660694348219e-09 ] [ 1.199002973329943e-09 -6.268250067560948e-10 -6.446152875616662e-09 ] [ -3.951672504605952e-11 1.89474720960637e-09 1.834521550648161e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -32.797196 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.254690065899528e-18 } }