{ "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" [ 5.39143 0 0 ] "si-unit" "m" "si-value" [ 5.39143e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.144963 5.17841 0 ] "si-unit" "m" "si-value" [ 1.44963e-11 5.178410000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.144779 0.421312 5.38784 ] "si-unit" "m" "si-value" [ -1.44779e-11 4.21312e-11 5.38784e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.15223 0.0692904 -0.00428898 ] [ 1.42734 1.24068 1.17973 ] [ -0.332931 2.76994 2.80275 ] [ 1.2591 4.25807 3.96691 ] [ 2.6931 0.104845 2.7319 ] [ 4.09744 1.52781 4.38962 ] [ 2.50984 2.47613 -0.202936 ] [ 4.16866 4.11218 1.07304 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5223e-11 6.929040000000001e-12 -4.288980000000001e-13 ] [ 1.42734e-10 1.24068e-10 1.17973e-10 ] [ -3.32931e-11 2.76994e-10 2.80275e-10 ] [ 1.2591e-10 4.25807e-10 3.96691e-10 ] [ 2.6931e-10 1.04845e-11 2.7319e-10 ] [ 4.09744e-10 1.52781e-10 4.38962e-10 ] [ 2.50984e-10 2.47613e-10 -2.02936e-11 ] [ 4.16866e-10 4.11218e-10 1.07304e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 84.1680507 -92.9722253 45.9137603 ] [ -3.6536355 6.8653097 29.8527145 ] [ 13.4692617 4.3321658 -3.3635852 ] [ -30.6315986 17.8940125 -10.3201071 ] [ 10.3121851 5.613879 -1.3431015 ] [ -99.9570725 69.4425135 -70.3866826 ] [ 36.3077322 -5.3673064 6.9475474 ] [ -10.0149232 -5.8083488 2.6994542 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.348520841608673e-07 -1.489579269866436e-07 7.356195393173682e-08 ] [ -5.853769427252906e-09 1.099943878651355e-08 4.782932163337299e-08 ] [ 2.158013637297111e-08 6.940894819373917e-09 -5.389057613908217e-09 ] [ -4.90772315389871e-08 2.866936871600392e-08 -1.65346344559975e-08 ] [ 1.652194201270295e-08 8.994425759903286e-09 -2.151885840390351e-09 ] [ -1.601488859625439e-07 1.112591725359296e-07 -1.127718982064944e-07 ] [ 5.81714001643694e-08 -8.599372901598657e-09 1.113119810788745e-08 ] [ -1.604567594234451e-08 -9.306000729481937e-09 4.325002443793162e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -4.9775932 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.974983518597289e-19 } }