{ "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" [ [ 0.4623616000000001 -0.04495350000000001 -0.9682110000000003 ] [ -1.9567519000000004 -0.8299086000000002 1.1997801000000001 ] [ 0.5927674000000002 -1.6922135000000005 -0.31241350000000007 ] [ -1.4261756000000003 -1.1103196000000002 2.4050410000000007 ] [ 0.9409196000000002 1.2613098000000003 -1.7480588000000004 ] [ -0.007935400000000002 1.4107709000000002 2.2201832000000006 ] [ 1.7106476000000004 0.6120507000000001 -1.4183131000000002 ] [ -0.31583330000000004 0.3932638000000001 -1.3780080000000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.407849519788545e-10 -7.2023447316519e-11 -1.551245040981774e-09 ] [ -3.135062172715105e-09 -1.329660167275653e-09 1.922259642158183e-09 ] [ 9.497180776769317e-10 -2.71122492943936e-09 -5.00541609846159e-10 ] [ -2.284985222300931e-09 -1.778928119392226e-09 3.853300494011995e-09 ] [ 1.507519397592627e-09 2.020841089795214e-09 -2.800698964218079e-09 ] [ -1.27139124614436e-11 2.26030417190715e-09 3.557125646239349e-09 ] [ 2.740759613728179e-09 9.806133303633438e-10 -2.272388108516106e-09 ] [ -5.060207334991123e-10 6.300780713580494e-10 -2.207812219065072e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.303756 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.81650295896373e-18 } }