{ "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" [ 5.52526 0 0 ] "si-unit" "m" "si-value" [ 5.52526e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.163004 5.51064 0 ] "si-unit" "m" "si-value" [ 1.63004e-11 5.510640000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0929221 -0.0543858 5.47616 ] "si-unit" "m" "si-value" [ 9.29221e-12 -5.43858e-12 5.47616e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0515746 -0.0381365 -0.00729456 ] [ 1.44408 1.32704 1.45073 ] [ 0.0791767 2.70101 2.71983 ] [ 1.48556 4.06547 4.00394 ] [ 2.80111 0.011527 2.65388 ] [ 4.15958 1.27318 3.97985 ] [ 2.73428 2.80936 0.100172 ] [ 4.13679 4.02299 1.21489 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.15746e-12 -3.81365e-12 -7.29456e-13 ] [ 1.44408e-10 1.32704e-10 1.45073e-10 ] [ 7.917670000000001e-12 2.70101e-10 2.71983e-10 ] [ 1.48556e-10 4.06547e-10 4.00394e-10 ] [ 2.80111e-10 1.1527e-12 2.65388e-10 ] [ 4.15958e-10 1.27318e-10 3.97985e-10 ] [ 2.73428e-10 2.80936e-10 1.00172e-11 ] [ 4.136790000000001e-10 4.02299e-10 1.21489e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.4380316 0.3150648 -0.2744656999999999 ] [ -0.876957 0.5056094 -1.7574011999999997 ] [ -0.8460229 0.0381587 -0.17686159999999998 ] [ 0.9720174 0.2228377 0.4575337999999999 ] [ -0.4815964 -1.7330521 0.6802382999999999 ] [ 0.920683 0.7949414 1.6910556999999995 ] [ -0.8982231 -1.9547021 -2.6571954999999994 ] [ 2.6481305 1.8111423 2.0370961999999997 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.303980609491617e-09 5.047894565970278e-10 -4.397425277515064e-10 ] [ -1.405040002846906e-09 8.100755599367154e-10 -2.815667116005865e-09 ] [ -1.355478111041416e-09 6.113697702012095e-11 -2.833635206372813e-10 ] [ 1.557343553290802e-09 3.570253531728442e-10 7.330499575857829e-10 ] [ -7.71602492741445e-10 -2.776655557248344e-09 1.089861900832737e-09 ] [ 1.475096777768006e-09 1.273636525986021e-09 2.709369907010578e-09 ] [ -1.4391120510825e-09 -3.131778005248664e-09 -4.257296506994966e-09 ] [ 4.242772775927415e-09 2.90176985000194e-09 3.263787905960521e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.790261 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.734231942653004e-18 } }