{ "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" [ [ 0.36788390000000004 -0.08273120000000002 -0.6207119000000001 ] [ -1.6112762000000005 -0.8234557000000002 1.0060380000000002 ] [ 0.5135947000000001 -1.4287286000000001 -0.14121430000000001 ] [ -1.1359566000000003 -0.9881269000000003 1.8072800000000004 ] [ 0.6976335000000001 1.1243484000000001 -1.4057359000000003 ] [ -0.03144960000000001 1.1937683000000001 1.7308614000000004 ] [ 1.4474791000000002 0.6420564000000001 -1.0516810000000003 ] [ -0.24790890000000004 0.36286930000000006 -1.3248364000000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.894149886047926e-10 -1.325499955427808e-10 -9.944901026257446e-10 ] [ -2.581549078560312e-09 -1.319321481674114e-09 1.611850576516092e-09 ] [ 8.228694276862399e-10 -2.289075579247532e-09 -2.262502518466662e-10 ] [ -1.820003121758085e-09 -1.583153830606855e-09 2.89558178709552e-09 ] [ 1.117732092795639e-09 1.801404734955286e-09 -2.252237212554961e-09 ] [ -5.038781426864641e-11 1.912627676669902e-09 2.773145691772528e-09 ] [ 2.319117192223349e-09 1.028687761790158e-09 -1.684978724621754e-09 ] [ -3.971938469406426e-10 5.813807136559362e-10 -2.122621923952678e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.43154 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.836976212863635e-18 } }