{ "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" [ [ -1.5964437 0.1564421 -0.12051069999999997 ] [ -0.8731711 0.6503073 -1.8432902999999996 ] [ -1.0847651 0.0243346 -0.5330059999999999 ] [ 1.3457095 0.2582703 0.3769264999999999 ] [ -0.4794094 -2.1207708 0.5364286999999999 ] [ 1.0528988 1.1776367 2.1298224999999995 ] [ -1.4734066 -2.5276739 -3.099244999999999 ] [ 3.1085878 2.3814538 2.5528742999999996 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.557784772563449e-09 2.506478751288557e-10 -1.930794260962425e-10 ] [ -1.398974322378219e-09 1.041907152395572e-09 -2.953276624007418e-09 ] [ -1.737985282279774e-09 3.898832719651969e-11 -8.539697519461246e-10 ] [ 2.156064299288457e-09 4.137946365070022e-10 6.03902826059971e-10 ] [ -7.680985324717555e-10 -3.397849393835312e-09 8.594535218661368e-10 ] [ 1.686929841428375e-09 1.886781988536064e-09 3.412351815953807e-09 ] [ -2.360657607452417e-09 -4.049780027586357e-09 -4.965537881131294e-09 ] [ 4.980506696864106e-09 3.815509601875319e-09 4.090155519301165e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.811681 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.737663804974757e-18 } }