{ "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" [ [ 0.2817990000000001 0.010361700000000001 -0.4833980000000001 ] [ -1.2843134000000003 -0.6403988000000002 0.7437347000000001 ] [ 0.4330931000000001 -1.1176682000000002 -0.028206300000000007 ] [ -0.9829351000000002 -0.8279009000000003 1.5357853000000004 ] [ 0.5705954000000001 0.9753463000000002 -1.0808799000000002 ] [ -0.0043151000000000005 0.9406433000000002 1.3523545000000001 ] [ 1.2065624000000001 0.4747473000000001 -0.9156716000000003 ] [ -0.22048630000000005 0.18486930000000001 -1.1237187000000002 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.514917695648193e-10 1.660127349174336e-11 -7.744889741414785e-10 ] [ -2.057696903260159e-09 -1.026031985348375e-09 1.191594348417702e-09 ] [ 6.938916394497967e-10 -1.790701859851619e-09 -4.519147441927105e-11 ] [ -1.57483563698371e-09 -1.326443466319279e-09 2.460599302228315e-09 ] [ 9.141946098160244e-10 1.562677039043784e-09 -1.731760505672642e-09 ] [ -6.913552336414081e-12 1.507076703772161e-09 2.166710762933674e-09 ] [ 1.933126068816338e-09 7.60629024847924e-10 -1.46706762985053e-09 ] [ -3.532579950666951e-10 2.961932703636615e-10 -1.800395829495769e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.550479 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.856032293284137e-18 } }