{ "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" [ 5.42802 0 0 ] "si-unit" "m" "si-value" [ 5.42802e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0476613 5.42825 0 ] "si-unit" "m" "si-value" [ -4.76613e-12 5.42825e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0987222 -0.186163 5.49756 ] "si-unit" "m" "si-value" [ -9.87222e-12 -1.86163e-11 5.49756e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0306296 -0.063852 -0.0490719 ] [ 1.36252 1.37203 1.3263 ] [ 0.0367903 2.58342 2.70389 ] [ 1.37777 4.04701 4.07282 ] [ 2.72906 0.000401884 2.69217 ] [ 4.00266 1.36136 4.06132 ] [ 2.83534 2.75342 0.0381881 ] [ 4.01886 4.16847 1.28111 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.06296e-12 -6.385200000000001e-12 -4.907190000000001e-12 ] [ 1.36252e-10 1.37203e-10 1.3263e-10 ] [ 3.67903e-12 2.58342e-10 2.70389e-10 ] [ 1.37777e-10 4.04701e-10 4.07282e-10 ] [ 2.72906e-10 4.01884e-14 2.69217e-10 ] [ 4.00266e-10 1.36136e-10 4.06132e-10 ] [ 2.83534e-10 2.75342e-10 3.818810000000001e-12 ] [ 4.01886e-10 4.16847e-10 1.28111e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.5801168999999999 -1.7334231999999996 0.8948745999999997 ] [ -0.6424558999999999 0.7897660999999998 0.5437194999999999 ] [ 0.4341238999999999 -1.9574080999999997 -0.23030009999999995 ] [ 0.3872775999999999 1.2574042999999997 -0.04614469999999999 ] [ 0.31625279999999995 -0.6064626999999999 0.037565999999999995 ] [ -0.7714499999999997 1.3482061999999997 -0.23424739999999994 ] [ 1.5569383999999995 -0.26793829999999996 0.4670646999999999 ] [ -0.7005697999999999 1.1698556999999998 -1.4325325999999998 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.294497421685145e-10 -2.777250147873508e-09 1.433747174480096e-09 ] [ -1.02932783135544e-09 1.265344791745307e-09 8.711346783501629e-10 ] [ 6.955431688409524e-10 -3.136113521022335e-09 -3.689814390278633e-10 ] [ 6.204871215915983e-10 2.014583788951125e-09 -7.393196012293977e-11 ] [ 5.06692846597075e-10 -9.716603673325515e-10 6.018736743284398e-11 ] [ -1.235999164299299e-09 2.16006447145393e-09 -3.753057108552514e-10 ] [ 2.494490325057345e-09 -4.292844836136821e-10 7.483201489062195e-10 ] [ -1.122436564046053e-09 1.874315467691713e-09 -2.295170259163268e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -0.7754136015624766 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.242349554109186e-19 } }