{ "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" [ 5.37157 0 0 ] "si-unit" "m" "si-value" [ 5.37157e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00742946 5.44743 0 ] "si-unit" "m" "si-value" [ -7.42946e-13 5.447429999999999e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0324182 0.1292 5.41398 ] "si-unit" "m" "si-value" [ 3.24182e-12 1.292e-11 5.41398e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0294164 -0.0853048 -0.0527531 ] [ 1.50657 1.46533 1.29324 ] [ 0.0376731 2.77305 2.66982 ] [ 1.30492 4.09759 4.08062 ] [ 2.57907 0.017247 2.67471 ] [ 4.14556 1.36588 4.04305 ] [ 2.78643 2.5664 0.0569683 ] [ 4.11497 4.06206 1.21769 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.94164e-12 -8.530480000000001e-12 -5.27531e-12 ] [ 1.50657e-10 1.46533e-10 1.29324e-10 ] [ 3.76731e-12 2.77305e-10 2.66982e-10 ] [ 1.30492e-10 4.09759e-10 4.08062e-10 ] [ 2.57907e-10 1.7247e-12 2.67471e-10 ] [ 4.14556e-10 1.36588e-10 4.04305e-10 ] [ 2.78643e-10 2.5664e-10 5.69683e-12 ] [ 4.114969999999999e-10 4.06206e-10 1.21769e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.3416418 1.3424444 0.5675387 ] [ -2.9707597 -1.8335369 1.1158506 ] [ 0.3067318 -0.275039 -0.3575032 ] [ 1.2450793 -0.667665 -0.1230645 ] [ 2.0326873 -0.4659949 0.0735189 ] [ -1.2570404 -0.2251307 -0.7963195 ] [ 1.0321426 1.8810909 -2.4411102 ] [ -1.7304826 0.2438311 1.9610892 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.14954712544803e-09 2.150833032403884e-09 9.092972365392249e-10 ] [ -4.759681737354821e-09 -2.937649954554107e-09 1.787789743625652e-09 ] [ 4.914385188159014e-10 -4.406610556082112e-10 -5.727832689011866e-10 ] [ 1.994836945502029e-09 -1.069717253526432e-09 -1.971710647504416e-10 ] [ 3.256724069457076e-09 -7.46606134192034e-10 1.177902627669331e-10 ] [ -2.01400074028108e-09 -3.606991441643385e-10 -1.275844485587145e-09 ] [ 1.653674743051726e-09 3.013839861579631e-09 -3.911089691236412e-09 ] [ -2.772538764421198e-09 3.906604878439469e-10 3.142011267543375e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -41.210007 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.602570975840435e-18 } }