{ "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" [ 5.4207 0 0 ] "si-unit" "m" "si-value" [ 5.420700000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.121917 5.37017 0 ] "si-unit" "m" "si-value" [ -1.21917e-11 5.37017e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0328689 -0.300504 5.4102 ] "si-unit" "m" "si-value" [ -3.28689e-12 -3.00504e-11 5.4102e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0512752 -0.33658 -0.135216 ] [ 1.26577 1.35967 1.6251 ] [ 0.0338464 2.52642 2.69707 ] [ 1.45988 3.83229 4.06608 ] [ 2.77794 -0.093605 2.9072 ] [ 4.03914 1.38604 3.72159 ] [ 2.13334 2.58123 0.377362 ] [ 4.24352 4.40881 1.44889 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.12752e-12 -3.3658e-11 -1.35216e-11 ] [ 1.26577e-10 1.35967e-10 1.6251e-10 ] [ 3.38464e-12 2.52642e-10 2.69707e-10 ] [ 1.45988e-10 3.83229e-10 4.06608e-10 ] [ 2.77794e-10 -9.3605e-12 2.9072e-10 ] [ 4.03914e-10 1.38604e-10 3.72159e-10 ] [ 2.13334e-10 2.58123e-10 3.77362e-11 ] [ 4.243520000000001e-10 4.40881e-10 1.44889e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.6121925999999999 3.9295970999999996 -1.7666146999999999 ] [ 0.5330377999999999 -7.381448699999999 0.6512244999999999 ] [ -1.3765107999999997 5.3342339999999995 0.6424554999999998 ] [ 0.045329299999999996 -2.1014041999999997 0.40491399999999994 ] [ -0.7331163999999999 -0.04956409999999999 -1.9763616999999998 ] [ -1.1888553999999998 -1.0198356999999998 4.105726299999999 ] [ 4.723636899999999 4.669172499999999 -4.980431199999999 ] [ -2.6157138999999994 -3.3807507999999995 2.9190870999999996 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.808406711467658e-10 6.295908602783479e-09 -2.830428770301606e-09 ] [ 8.540207011626661e-10 -1.182638453477455e-08 1.04337666879217e-09 ] [ -2.205413422038704e-09 8.546385004676467e-09 1.029327182004374e-09 ] [ 7.262554469722944e-11 -3.366820680090927e-09 6.487437442346111e-10 ] [ -1.174581956405061e-09 -7.941044225099327e-11 -3.166480509984543e-09 ] [ -1.904756327391832e-09 -1.633956915597202e-09 6.578098689263685e-09 ] [ 7.568100606328186e-09 7.480839017982287e-09 -7.979530430142889e-09 ] [ -4.190835657281588e-09 -5.416559892510896e-09 4.676893105698872e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.31712624065424 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.813203507741842e-18 } }